2-amino-2-(hydroxymethyl)propane-1,3-diol;3-(2-diethoxyphosphoryl-2-naphthalen-1-ylacetyl)-N-methyl-N-[1-(naphthalene-2-carbonyl)piperidin-4-yl]naphthalene-2-carboxamide;methane;bis([2-[3-[methyl-[1-(naphthalene-2-carbonyl)piperidin-4-yl]carbamoyl]naphthalen-2-yl]-1-naphthalen-1-yl-2-oxoethyl]phosphonic acid);hydroiodide

C129H129IN7O21P3 — CID 160794706

IUPAC2-amino-2-(hydroxymethyl)propane-1,3-diol;3-(2-diethoxyphosphoryl-2-naphthalen-1-ylacetyl)-N-methyl-N-[1-(naphthalene-2-carbonyl)piperidin-4-yl]naphthalene-2-carboxamide;methane;bis([2-[3-[methyl-[1-(naphthalene-2-carbonyl)piperidin-4-yl]carbamoyl]naphthalen-2-yl]-1-naphthalen-1-yl-2-oxoethyl]phosphonic acid);hydroiodide
SMILESC.CCOP(=O)(OCC)C(C(=O)c1cc2ccccc2cc1C(=O)N(C)C1CCN(C(=O)c2ccc3ccccc3c2)CC1)c1cccc2ccccc12.CN(C(=O)c1cc2ccccc2cc1C(=O)C(c1cccc2ccccc12)P(=O)(O)O)C1CCN(C(=O)c2ccc3ccccc3c2)CC1.CN(C(=O)c1cc2ccccc2cc1C(=O)C(c1cccc2ccccc12)P(=O)(O)O)C1CCN(C(=O)c2ccc3ccccc3c2)CC1.I.NC(CO)(CO)CO
InChIInChI=1S/C44H43N2O6P.2C40H35N2O6P.C4H11NO3.CH4.HI/c1-4-51-53(50,52-5-2)42(38-20-12-18-31-14-10-11-19-37(31)38)41(47)39-28-33-16-8-9-17-34(33)29-40(39)44(49)45(3)36-23-25-46(26-24-36)43(48)35-22-21-30-13-6-7-15-32(30)27-35;2*1-41(32-19-21-42(22-20-32)39(44)31-18-17-26-9-2-3-11-28(26)23-31)40(45)36-25-30-13-5-4-12-29(30)24-35(36)37(43)38(49(46,47)48)34-16-8-14-27-10-6-7-15-33(27)34;5-4(1-6,2-7)3-8;;/h6-22,27-29,36,42H,4-5,23-26H2,1-3H3;2*2-18,23-25,32,38H,19-22H2,1H3,(H2,46,47,48);6-8H,1-3,5H2;1H4;1H
InChIKeyPWMMILCZFDIKPX-UHFFFAOYSA-N
MW2333.30 g/mol
LogP23.88
Rot. Bonds28

About 2-amino-2-(hydroxymethyl)propane-1,3-diol;3-(2-diethoxyphosphoryl-2-naphthalen-1-ylacetyl)-N-methyl-N-[1-(naphthalene-2-carbonyl)piperidin-4-yl]naphthalene-2-carboxamide;methane;bis([2-[3-[methyl-[1-(naphthalene-2-carbonyl)piperidin-4-yl]carbamoyl]naphthalen-2-yl]-1-naphthalen-1-yl-2-oxoethyl]phosphonic acid);hydroiodide

2-amino-2-(hydroxymethyl)propane-1,3-diol;3-(2-diethoxyphosphoryl-2-naphthalen-1-ylacetyl)-N-methyl-N-[1-(naphthalene-2-carbonyl)piperidin-4-yl]naphthalene-2-carboxamide;methane;bis([2-[3-[methyl-[1-(naphthalene-2-carbonyl)piperidin-4-yl]carbamoyl]naphthalen-2-yl]-1-naphthalen-1-yl-2-oxoethyl]phosphonic acid);hydroiodide (PubChem CID 160794706) has the molecular formula C129H129IN7O21P3 and a molecular weight of 2333.30 g/mol. Its IUPAC name is 2-amino-2-(hydroxymethyl)propane-1,3-diol;3-(2-diethoxyphosphoryl-2-naphthalen-1-ylacetyl)-N-methyl-N-[1-(naphthalene-2-carbonyl)piperidin-4-yl]naphthalene-2-carboxamide;methane;bis([2-[3-[methyl-[1-(naphthalene-2-carbonyl)piperidin-4-yl]carbamoyl]naphthalen-2-yl]-1-naphthalen-1-yl-2-oxoethyl]phosphonic acid);hydroiodide.

Molecular Properties

Compound Name2-amino-2-(hydroxymethyl)propane-1,3-diol;3-(2-diethoxyphosphoryl-2-naphthalen-1-ylacetyl)-N-methyl-N-[1-(naphthalene-2-carbonyl)piperidin-4-yl]naphthalene-2-carboxamide;methane;bis([2-[3-[methyl-[1-(naphthalene-2-carbonyl)piperidin-4-yl]carbamoyl]naphthalen-2-yl]-1-naphthalen-1-yl-2-oxoethyl]phosphonic acid);hydroiodide
PubChem CID160794706
Molecular FormulaC129H129IN7O21P3
Molecular Weight2333.30 g/mol
Exact Mass2331.75
IUPAC Name2-amino-2-(hydroxymethyl)propane-1,3-diol;3-(2-diethoxyphosphoryl-2-naphthalen-1-ylacetyl)-N-methyl-N-[1-(naphthalene-2-carbonyl)piperidin-4-yl]naphthalene-2-carboxamide;methane;bis([2-[3-[methyl-[1-(naphthalene-2-carbonyl)piperidin-4-yl]carbamoyl]naphthalen-2-yl]-1-naphthalen-1-yl-2-oxoethyl]phosphonic acid);hydroiodide
SMILESC.CCOP(=O)(OCC)C(C(=O)c1cc2ccccc2cc1C(=O)N(C)C1CCN(C(=O)c2ccc3ccccc3c2)CC1)c1cccc2ccccc12.CN(C(=O)c1cc2ccccc2cc1C(=O)C(c1cccc2ccccc12)P(=O)(O)O)C1CCN(C(=O)c2ccc3ccccc3c2)CC1.CN(C(=O)c1cc2ccccc2cc1C(=O)C(c1cccc2ccccc12)P(=O)(O)O)C1CCN(C(=O)c2ccc3ccccc3c2)CC1.I.NC(CO)(CO)CO
InChIInChI=1S/C44H43N2O6P.2C40H35N2O6P.C4H11NO3.CH4.HI/c1-4-51-53(50,52-5-2)42(38-20-12-18-31-14-10-11-19-37(31)38)41(47)39-28-33-16-8-9-17-34(33)29-40(39)44(49)45(3)36-23-25-46(26-24-36)43(48)35-22-21-30-13-6-7-15-32(30)27-35;2*1-41(32-19-21-42(22-20-32)39(44)31-18-17-26-9-2-3-11-28(26)23-31)40(45)36-25-30-13-5-4-12-29(30)24-35(36)37(43)38(49(46,47)48)34-16-8-14-27-10-6-7-15-33(27)34;5-4(1-6,2-7)3-8;;/h6-22,27-29,36,42H,4-5,23-26H2,1-3H3;2*2-18,23-25,32,38H,19-22H2,1H3,(H2,46,47,48);6-8H,1-3,5H2;1H4;1H
InChIKeyPWMMILCZFDIKPX-UHFFFAOYSA-N
XLogP23.88
TPSA410.37 Ų
H-Bond Donors8
H-Bond Acceptors18
Rotatable Bonds28
Heavy Atoms161
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002333.30
LogP ≤ 523.88
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 2-amino-2-(hydroxymethyl)propane-1,3-diol;3-(2-diethoxyphosphoryl-2-naphthalen-1-ylacetyl)-N-methyl-N-[1-(naphthalene-2-carbonyl)piperidin-4-yl]naphthalene-2-carboxamide;methane;bis([2-[3-[methyl-[1-(naphthalene-2-carbonyl)piperidin-4-yl]carbamoyl]naphthalen-2-yl]-1-naphthalen-1-yl-2-oxoethyl]phosphonic acid);hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(hydroxymethyl)propane-1,3-diol;3-(2-diethoxyphosphoryl-2-naphthalen-1-ylacetyl)-N-methyl-N-[1-(naphthalene-2-carbonyl)piperidin-4-yl]naphthalene-2-carboxamide;methane;bis([2-[3-[methyl-[1-(naphthalene-2-carbonyl)piperidin-4-yl]carbamoyl]naphthalen-2-yl]-1-naphthalen-1-yl-2-oxoethyl]phosphonic acid);hydroiodide?
The IUPAC name of 2-amino-2-(hydroxymethyl)propane-1,3-diol;3-(2-diethoxyphosphoryl-2-naphthalen-1-ylacetyl)-N-methyl-N-[1-(naphthalene-2-carbonyl)piperidin-4-yl]naphthalene-2-carboxamide;methane;bis([2-[3-[methyl-[1-(naphthalene-2-carbonyl)piperidin-4-yl]carbamoyl]naphthalen-2-yl]-1-naphthalen-1-yl-2-oxoethyl]phosphonic acid);hydroiodide (CID 160794706) is 2-amino-2-(hydroxymethyl)propane-1,3-diol;3-(2-diethoxyphosphoryl-2-naphthalen-1-ylacetyl)-N-methyl-N-[1-(naphthalene-2-carbonyl)piperidin-4-yl]naphthalene-2-carboxamide;methane;bis([2-[3-[methyl-[1-(naphthalene-2-carbonyl)piperidin-4-yl]carbamoyl]naphthalen-2-yl]-1-naphthalen-1-yl-2-oxoethyl]phosphonic acid);hydroiodide.
What is the SMILES notation for 2-amino-2-(hydroxymethyl)propane-1,3-diol;3-(2-diethoxyphosphoryl-2-naphthalen-1-ylacetyl)-N-methyl-N-[1-(naphthalene-2-carbonyl)piperidin-4-yl]naphthalene-2-carboxamide;methane;bis([2-[3-[methyl-[1-(naphthalene-2-carbonyl)piperidin-4-yl]carbamoyl]naphthalen-2-yl]-1-naphthalen-1-yl-2-oxoethyl]phosphonic acid);hydroiodide?
The canonical SMILES for 2-amino-2-(hydroxymethyl)propane-1,3-diol;3-(2-diethoxyphosphoryl-2-naphthalen-1-ylacetyl)-N-methyl-N-[1-(naphthalene-2-carbonyl)piperidin-4-yl]naphthalene-2-carboxamide;methane;bis([2-[3-[methyl-[1-(naphthalene-2-carbonyl)piperidin-4-yl]carbamoyl]naphthalen-2-yl]-1-naphthalen-1-yl-2-oxoethyl]phosphonic acid);hydroiodide is C.CCOP(=O)(OCC)C(C(=O)c1cc2ccccc2cc1C(=O)N(C)C1CCN(C(=O)c2ccc3ccccc3c2)CC1)c1cccc2ccccc12.CN(C(=O)c1cc2ccccc2cc1C(=O)C(c1cccc2ccccc12)P(=O)(O)O)C1CCN(C(=O)c2ccc3ccccc3c2)CC1.CN(C(=O)c1cc2ccccc2cc1C(=O)C(c1cccc2ccccc12)P(=O)(O)O)C1CCN(C(=O)c2ccc3ccccc3c2)CC1.I.NC(CO)(CO)CO.
What is the InChIKey of 2-amino-2-(hydroxymethyl)propane-1,3-diol;3-(2-diethoxyphosphoryl-2-naphthalen-1-ylacetyl)-N-methyl-N-[1-(naphthalene-2-carbonyl)piperidin-4-yl]naphthalene-2-carboxamide;methane;bis([2-[3-[methyl-[1-(naphthalene-2-carbonyl)piperidin-4-yl]carbamoyl]naphthalen-2-yl]-1-naphthalen-1-yl-2-oxoethyl]phosphonic acid);hydroiodide?
The InChIKey is PWMMILCZFDIKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H43N2O6P.2C40H35N2O6P.C4H11NO3.CH4.HI/c1-4-51-53(50,52-5-2)42(38-20-12-18-31-14-10-11-19-37(31)38)41(47)39-28-33-16-8-9-17-34(33)29-40(39)44(49)45(3)36-23-25-46(26-24-36)43(48)35-22-21-30-13-6-7-15-32(30)27-35;2*1-41(32-19-21-42(22-20-32)39(44)31-18-17-26-9-2-3-11-28(26)23-31)40(45)36-25-30-13-5-4-12-29(30)24-35(36)37(43)38(49(46,47)48)34-16-8-14-27-10-6-7-15-33(27)34;5-4(1-6,2-7)3-8;;/h6-22,27-29,36,42H,4-5,23-26H2,1-3H3;2*2-18,23-25,32,38H,19-22H2,1H3,(H2,46,47,48);6-8H,1-3,5H2;1H4;1H.
What are the key properties of 2-amino-2-(hydroxymethyl)propane-1,3-diol;3-(2-diethoxyphosphoryl-2-naphthalen-1-ylacetyl)-N-methyl-N-[1-(naphthalene-2-carbonyl)piperidin-4-yl]naphthalene-2-carboxamide;methane;bis([2-[3-[methyl-[1-(naphthalene-2-carbonyl)piperidin-4-yl]carbamoyl]naphthalen-2-yl]-1-naphthalen-1-yl-2-oxoethyl]phosphonic acid);hydroiodide?
2-amino-2-(hydroxymethyl)propane-1,3-diol;3-(2-diethoxyphosphoryl-2-naphthalen-1-ylacetyl)-N-methyl-N-[1-(naphthalene-2-carbonyl)piperidin-4-yl]naphthalene-2-carboxamide;methane;bis([2-[3-[methyl-[1-(naphthalene-2-carbonyl)piperidin-4-yl]carbamoyl]naphthalen-2-yl]-1-naphthalen-1-yl-2-oxoethyl]phosphonic acid);hydroiodide has a molecular weight of 2333.30 g/mol, XLogP of 23.88, 28 rotatable bonds, 8 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(hydroxymethyl)propane-1,3-diol;3-(2-diethoxyphosphoryl-2-naphthalen-1-ylacetyl)-N-methyl-N-[1-(naphthalene-2-carbonyl)piperidin-4-yl]naphthalene-2-carboxamide;methane;bis([2-[3-[methyl-[1-(naphthalene-2-carbonyl)piperidin-4-yl]carbamoyl]naphthalen-2-yl]-1-naphthalen-1-yl-2-oxoethyl]phosphonic acid);hydroiodide is sourced from PubChem (CID 160794706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).