N-diethoxyphosphoryl-4-methyl-3-[(2-methylphenyl)methoxy]-7-oxabicyclo[2.2.1]heptane-1-carboxamide

C20H30NO6P — CID 70475914

IUPACN-diethoxyphosphoryl-4-methyl-3-[(2-methylphenyl)methoxy]-7-oxabicyclo[2.2.1]heptane-1-carboxamide
SMILESCCOP(=O)(NC(=O)C12CCC(C)(O1)C(OCc1ccccc1C)C2)OCC
InChIInChI=1S/C20H30NO6P/c1-5-25-28(23,26-6-2)21-18(22)20-12-11-19(4,27-20)17(13-20)24-14-16-10-8-7-9-15(16)3/h7-10,17H,5-6,11-14H2,1-4H3,(H,21,22,23)
InChIKeyPPGHAPCIPSGKND-UHFFFAOYSA-N
MW411.44 g/mol
LogP3.89
Rot. Bonds9

About N-diethoxyphosphoryl-4-methyl-3-[(2-methylphenyl)methoxy]-7-oxabicyclo[2.2.1]heptane-1-carboxamide

N-diethoxyphosphoryl-4-methyl-3-[(2-methylphenyl)methoxy]-7-oxabicyclo[2.2.1]heptane-1-carboxamide (PubChem CID 70475914) has the molecular formula C20H30NO6P and a molecular weight of 411.44 g/mol. Its IUPAC name is N-diethoxyphosphoryl-4-methyl-3-[(2-methylphenyl)methoxy]-7-oxabicyclo[2.2.1]heptane-1-carboxamide.

Molecular Properties

Compound NameN-diethoxyphosphoryl-4-methyl-3-[(2-methylphenyl)methoxy]-7-oxabicyclo[2.2.1]heptane-1-carboxamide
PubChem CID70475914
Molecular FormulaC20H30NO6P
Molecular Weight411.44 g/mol
Exact Mass411.18
IUPAC NameN-diethoxyphosphoryl-4-methyl-3-[(2-methylphenyl)methoxy]-7-oxabicyclo[2.2.1]heptane-1-carboxamide
SMILESCCOP(=O)(NC(=O)C12CCC(C)(O1)C(OCc1ccccc1C)C2)OCC
InChIInChI=1S/C20H30NO6P/c1-5-25-28(23,26-6-2)21-18(22)20-12-11-19(4,27-20)17(13-20)24-14-16-10-8-7-9-15(16)3/h7-10,17H,5-6,11-14H2,1-4H3,(H,21,22,23)
InChIKeyPPGHAPCIPSGKND-UHFFFAOYSA-N
XLogP3.89
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.44
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-diethoxyphosphoryl-4-methyl-3-[(2-methylphenyl)methoxy]-7-oxabicyclo[2.2.1]heptane-1-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

(1S,2R)-1-methyl-2-[(2-methylphenyl)methoxy]-4-propan-2-yl-7-oxabicyclo[2.2.1]heptane
CID 145185480
(1R,2R,4R)-1-methyl-2-[(2-methylphenyl)methoxy]-4-propan-2-yl-7-oxabicyclo[2.2.1]heptane
CID 98049728
(1S,2R,4R,5S)-1-methyl-2,5-bis[(2-methylphenyl)methoxy]-4-propan-2-yl-7-oxabicyclo[2.2.1]heptane
CID 172571408
(1S,2R,4R,5S)-5-chloro-1-methyl-2-[(2-methylphenyl)methoxy]-4-propan-2-yl-7-oxabicyclo[2.2.1]heptane
CID 172571526
(1S,3S,6S,7S,9S)-1,7-dimethyl-9-[(2-methylphenyl)methoxy]-2-oxatricyclo[4.3.1.03,7]decane
CID 67807049
6,6-dimethyl-3-[(2-methylphenyl)methoxy]-5-oxaspiro[3.4]octane
CID 70490295
1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-3-[2-(2-methoxyethoxy)phenyl]sulfonylurea;1-methyl-2-[(2-methylphenyl)methoxy]-4-propan-2-yl-7-oxabicyclo[2.2.1]heptane
CID 174860058
4,7,7-trimethyl-3-[(2-methylphenyl)methoxy]-6-oxabicyclo[3.2.1]octan-4-ol
CID 141490838
1,3,3-trimethyl-6-phenylmethoxy-N-[[(1R,4S,6S)-1,3,3-trimethyl-6-phenylmethoxy-2-oxabicyclo[2.2.1]heptane-4-carbonyl]carbamoyl]-2-oxabicyclo[2.2.1]heptane-4-carboxamide
CID 70469630
2-(2-methylphenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone
CID 114622364
(1R,4S)-1-methyl-2-[(2-methylphenyl)methoxy]-4-propan-2-yl-7-oxabicyclo[2.2.1]heptane;1-methyl-4-propan-2-ylcyclohexane;1-methyl-4-prop-1-en-2-ylcyclohexa-1,3-diene
CID 162285363
1-(1-ethoxy-3-methylcyclohexyl)-2-(2-methylphenyl)ethanone
CID 116749856

Frequently Asked Questions

What is the IUPAC name of N-diethoxyphosphoryl-4-methyl-3-[(2-methylphenyl)methoxy]-7-oxabicyclo[2.2.1]heptane-1-carboxamide?
The IUPAC name of N-diethoxyphosphoryl-4-methyl-3-[(2-methylphenyl)methoxy]-7-oxabicyclo[2.2.1]heptane-1-carboxamide (CID 70475914) is N-diethoxyphosphoryl-4-methyl-3-[(2-methylphenyl)methoxy]-7-oxabicyclo[2.2.1]heptane-1-carboxamide.
What is the SMILES notation for N-diethoxyphosphoryl-4-methyl-3-[(2-methylphenyl)methoxy]-7-oxabicyclo[2.2.1]heptane-1-carboxamide?
The canonical SMILES for N-diethoxyphosphoryl-4-methyl-3-[(2-methylphenyl)methoxy]-7-oxabicyclo[2.2.1]heptane-1-carboxamide is CCOP(=O)(NC(=O)C12CCC(C)(O1)C(OCc1ccccc1C)C2)OCC.
What is the InChIKey of N-diethoxyphosphoryl-4-methyl-3-[(2-methylphenyl)methoxy]-7-oxabicyclo[2.2.1]heptane-1-carboxamide?
The InChIKey is PPGHAPCIPSGKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30NO6P/c1-5-25-28(23,26-6-2)21-18(22)20-12-11-19(4,27-20)17(13-20)24-14-16-10-8-7-9-15(16)3/h7-10,17H,5-6,11-14H2,1-4H3,(H,21,22,23).
What are the key properties of N-diethoxyphosphoryl-4-methyl-3-[(2-methylphenyl)methoxy]-7-oxabicyclo[2.2.1]heptane-1-carboxamide?
N-diethoxyphosphoryl-4-methyl-3-[(2-methylphenyl)methoxy]-7-oxabicyclo[2.2.1]heptane-1-carboxamide has a molecular weight of 411.44 g/mol, XLogP of 3.89, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-diethoxyphosphoryl-4-methyl-3-[(2-methylphenyl)methoxy]-7-oxabicyclo[2.2.1]heptane-1-carboxamide is sourced from PubChem (CID 70475914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).