2,3,5-trimethoxy-7-methyl-N-[(2S)-2-phenylpropyl]-6-[1,6,7-trimethoxy-3-methyl-5-[[(2S)-2-phenylpropyl]carbamoyl]naphthalen-2-yl]naphthalene-1-carboxamide

C48H52N2O8 — CID 46236804

IUPAC2,3,5-trimethoxy-7-methyl-N-[(2S)-2-phenylpropyl]-6-[1,6,7-trimethoxy-3-methyl-5-[[(2S)-2-phenylpropyl]carbamoyl]naphthalen-2-yl]naphthalene-1-carboxamide
SMILESCOc1cc2c(OC)c(-c3c(C)cc4c(C(=O)NC[C@@H](C)c5ccccc5)c(OC)c(OC)cc4c3OC)c(C)cc2c(C(=O)NC[C@@H](C)c2ccccc2)c1OC
InChIInChI=1S/C48H52N2O8/c1-27-21-33-35(23-37(53-5)45(57-9)41(33)47(51)49-25-29(3)31-17-13-11-14-18-31)43(55-7)39(27)40-28(2)22-34-36(44(40)56-8)24-38(54-6)46(58-10)42(34)48(52)50-26-30(4)32-19-15-12-16-20-32/h11-24,29-30H,25-26H2,1-10H3,(H,49,51)(H,50,52)/t29-,30-/m1/s1
InChIKeyPHFDHUKXYVHMBJ-LOYHVIPDSA-N
MW784.95 g/mol
LogP9.40
Rot. Bonds15

About 2,3,5-trimethoxy-7-methyl-N-[(2S)-2-phenylpropyl]-6-[1,6,7-trimethoxy-3-methyl-5-[[(2S)-2-phenylpropyl]carbamoyl]naphthalen-2-yl]naphthalene-1-carboxamide

2,3,5-trimethoxy-7-methyl-N-[(2S)-2-phenylpropyl]-6-[1,6,7-trimethoxy-3-methyl-5-[[(2S)-2-phenylpropyl]carbamoyl]naphthalen-2-yl]naphthalene-1-carboxamide (PubChem CID 46236804) has the molecular formula C48H52N2O8 and a molecular weight of 784.95 g/mol. Its IUPAC name is 2,3,5-trimethoxy-7-methyl-N-[(2S)-2-phenylpropyl]-6-[1,6,7-trimethoxy-3-methyl-5-[[(2S)-2-phenylpropyl]carbamoyl]naphthalen-2-yl]naphthalene-1-carboxamide.

Molecular Properties

Compound Name2,3,5-trimethoxy-7-methyl-N-[(2S)-2-phenylpropyl]-6-[1,6,7-trimethoxy-3-methyl-5-[[(2S)-2-phenylpropyl]carbamoyl]naphthalen-2-yl]naphthalene-1-carboxamide
PubChem CID46236804
Molecular FormulaC48H52N2O8
Molecular Weight784.95 g/mol
Exact Mass784.37
IUPAC Name2,3,5-trimethoxy-7-methyl-N-[(2S)-2-phenylpropyl]-6-[1,6,7-trimethoxy-3-methyl-5-[[(2S)-2-phenylpropyl]carbamoyl]naphthalen-2-yl]naphthalene-1-carboxamide
SMILESCOc1cc2c(OC)c(-c3c(C)cc4c(C(=O)NC[C@@H](C)c5ccccc5)c(OC)c(OC)cc4c3OC)c(C)cc2c(C(=O)NC[C@@H](C)c2ccccc2)c1OC
InChIInChI=1S/C48H52N2O8/c1-27-21-33-35(23-37(53-5)45(57-9)41(33)47(51)49-25-29(3)31-17-13-11-14-18-31)43(55-7)39(27)40-28(2)22-34-36(44(40)56-8)24-38(54-6)46(58-10)42(34)48(52)50-26-30(4)32-19-15-12-16-20-32/h11-24,29-30H,25-26H2,1-10H3,(H,49,51)(H,50,52)/t29-,30-/m1/s1
InChIKeyPHFDHUKXYVHMBJ-LOYHVIPDSA-N
XLogP9.40
TPSA113.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500784.95
LogP ≤ 59.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2,3,5-trimethoxy-7-methyl-N-[(2S)-2-phenylpropyl]-6-[1,6,7-trimethoxy-3-methyl-5-[[(2S)-2-phenylpropyl]carbamoyl]naphthalen-2-yl]naphthalene-1-carboxamide with MolForge

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Related Compounds

2,3,5-trihydroxy-7-methyl-N-(2-phenylpropyl)-6-[1,6,7-trihydroxy-3-methyl-5-[[(2S)-2-phenylpropyl]carbamoyl]naphthalen-2-yl]naphthalene-1-carboxamide
CID 58035816
2,3,5-trihydroxy-7-methyl-N-[(2S)-2-phenylpropyl]-6-[1,6,7-trihydroxy-3-methyl-5-[[(2R)-2-phenylpropyl]carbamoyl]naphthalen-2-yl]naphthalene-1-carboxamide
CID 46861855
3-chloro-4,5-dimethoxy-N-[(2R)-2-phenylpropyl]benzamide
CID 9301624
2,5-dimethoxy-N-[(2R)-2-phenylpropyl]benzamide
CID 8624150
[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 3,4,5-trimethoxybenzoate
CID 8013174
3,5-dimethoxy-N-(2-phenylpropyl)benzamide
CID 42890141
3,4,5-trimethoxy-N-(3-phenylbutyl)benzamide
CID 110357561
2-(2-bromo-4,5-dimethoxyphenyl)-N-[(2R)-2-phenylpropyl]acetamide
CID 9427335
[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 3-(3,4,5-trimethoxyphenyl)propanoate
CID 7776286
2,4-dimethyl-N-[(2S)-2-phenylpropyl]benzamide
CID 26778990
4-ethoxy-3-methyl-N-[(2R)-2-phenylpropyl]benzamide
CID 100550465
N-[2-(diethylamino)-2-phenylethyl]-3,4,5-trimethoxybenzamide
CID 16549388

Frequently Asked Questions

What is the IUPAC name of 2,3,5-trimethoxy-7-methyl-N-[(2S)-2-phenylpropyl]-6-[1,6,7-trimethoxy-3-methyl-5-[[(2S)-2-phenylpropyl]carbamoyl]naphthalen-2-yl]naphthalene-1-carboxamide?
The IUPAC name of 2,3,5-trimethoxy-7-methyl-N-[(2S)-2-phenylpropyl]-6-[1,6,7-trimethoxy-3-methyl-5-[[(2S)-2-phenylpropyl]carbamoyl]naphthalen-2-yl]naphthalene-1-carboxamide (CID 46236804) is 2,3,5-trimethoxy-7-methyl-N-[(2S)-2-phenylpropyl]-6-[1,6,7-trimethoxy-3-methyl-5-[[(2S)-2-phenylpropyl]carbamoyl]naphthalen-2-yl]naphthalene-1-carboxamide.
What is the SMILES notation for 2,3,5-trimethoxy-7-methyl-N-[(2S)-2-phenylpropyl]-6-[1,6,7-trimethoxy-3-methyl-5-[[(2S)-2-phenylpropyl]carbamoyl]naphthalen-2-yl]naphthalene-1-carboxamide?
The canonical SMILES for 2,3,5-trimethoxy-7-methyl-N-[(2S)-2-phenylpropyl]-6-[1,6,7-trimethoxy-3-methyl-5-[[(2S)-2-phenylpropyl]carbamoyl]naphthalen-2-yl]naphthalene-1-carboxamide is COc1cc2c(OC)c(-c3c(C)cc4c(C(=O)NC[C@@H](C)c5ccccc5)c(OC)c(OC)cc4c3OC)c(C)cc2c(C(=O)NC[C@@H](C)c2ccccc2)c1OC.
What is the InChIKey of 2,3,5-trimethoxy-7-methyl-N-[(2S)-2-phenylpropyl]-6-[1,6,7-trimethoxy-3-methyl-5-[[(2S)-2-phenylpropyl]carbamoyl]naphthalen-2-yl]naphthalene-1-carboxamide?
The InChIKey is PHFDHUKXYVHMBJ-LOYHVIPDSA-N. The full InChI is InChI=1S/C48H52N2O8/c1-27-21-33-35(23-37(53-5)45(57-9)41(33)47(51)49-25-29(3)31-17-13-11-14-18-31)43(55-7)39(27)40-28(2)22-34-36(44(40)56-8)24-38(54-6)46(58-10)42(34)48(52)50-26-30(4)32-19-15-12-16-20-32/h11-24,29-30H,25-26H2,1-10H3,(H,49,51)(H,50,52)/t29-,30-/m1/s1.
What are the key properties of 2,3,5-trimethoxy-7-methyl-N-[(2S)-2-phenylpropyl]-6-[1,6,7-trimethoxy-3-methyl-5-[[(2S)-2-phenylpropyl]carbamoyl]naphthalen-2-yl]naphthalene-1-carboxamide?
2,3,5-trimethoxy-7-methyl-N-[(2S)-2-phenylpropyl]-6-[1,6,7-trimethoxy-3-methyl-5-[[(2S)-2-phenylpropyl]carbamoyl]naphthalen-2-yl]naphthalene-1-carboxamide has a molecular weight of 784.95 g/mol, XLogP of 9.40, 15 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trimethoxy-7-methyl-N-[(2S)-2-phenylpropyl]-6-[1,6,7-trimethoxy-3-methyl-5-[[(2S)-2-phenylpropyl]carbamoyl]naphthalen-2-yl]naphthalene-1-carboxamide is sourced from PubChem (CID 46236804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).