N-(3-amino-4-methylphenyl)-4-(diethoxyphosphorylmethoxy)benzamide

C19H25N2O5P — CID 143223139

IUPACN-(3-amino-4-methylphenyl)-4-(diethoxyphosphorylmethoxy)benzamide
SMILESCCOP(=O)(COc1ccc(C(=O)Nc2ccc(C)c(N)c2)cc1)OCC
InChIInChI=1S/C19H25N2O5P/c1-4-25-27(23,26-5-2)13-24-17-10-7-15(8-11-17)19(22)21-16-9-6-14(3)18(20)12-16/h6-12H,4-5,13,20H2,1-3H3,(H,21,22)
InChIKeyZQSKRWDZHSUOLC-UHFFFAOYSA-N
MW392.39 g/mol
LogP4.43
Rot. Bonds9

About N-(3-amino-4-methylphenyl)-4-(diethoxyphosphorylmethoxy)benzamide

N-(3-amino-4-methylphenyl)-4-(diethoxyphosphorylmethoxy)benzamide (PubChem CID 143223139) has the molecular formula C19H25N2O5P and a molecular weight of 392.39 g/mol. Its IUPAC name is N-(3-amino-4-methylphenyl)-4-(diethoxyphosphorylmethoxy)benzamide.

Molecular Properties

Compound NameN-(3-amino-4-methylphenyl)-4-(diethoxyphosphorylmethoxy)benzamide
PubChem CID143223139
Molecular FormulaC19H25N2O5P
Molecular Weight392.39 g/mol
Exact Mass392.15
IUPAC NameN-(3-amino-4-methylphenyl)-4-(diethoxyphosphorylmethoxy)benzamide
SMILESCCOP(=O)(COc1ccc(C(=O)Nc2ccc(C)c(N)c2)cc1)OCC
InChIInChI=1S/C19H25N2O5P/c1-4-25-27(23,26-5-2)13-24-17-10-7-15(8-11-17)19(22)21-16-9-6-14(3)18(20)12-16/h6-12H,4-5,13,20H2,1-3H3,(H,21,22)
InChIKeyZQSKRWDZHSUOLC-UHFFFAOYSA-N
XLogP4.43
TPSA99.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.39
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-4-chlorophenyl)-4-ethoxybenzamide
CID 18071163
4-ethoxy-N-(3-fluoro-4-methylphenyl)benzamide
CID 2969739
4-(diethoxyphosphorylmethoxy)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
CID 143223118
N-(3-amino-4-methylphenyl)-2-(4-methylphenoxy)acetamide
CID 28867302
N-(3-amino-4-methylphenyl)-3,4-dimethoxybenzamide
CID 22732292
N-(3-amino-4-ethoxyphenyl)-4-methoxybenzamide
CID 23464410
N-(3-amino-4-methylphenyl)-3,5-dimethoxybenzamide
CID 24709261
N-(4-bromo-3,5-dimethylphenyl)-4-ethoxybenzamide
CID 107574997
N-(3,4-dimethylphenyl)-4-prop-2-enoxybenzamide
CID 4778952
1-N,3-N-bis(3-amino-4-methylphenyl)-5-hydroxybenzene-1,3-dicarboxamide
CID 139753115
4-N-(2,5-dimethylphenyl)-1-N-(4-ethoxyphenyl)benzene-1,4-dicarboxamide
CID 109049620
1-[4-[3-(diethoxyphosphorylmethoxy)phenoxy]phenyl]-3-(4-iodo-3-methylphenyl)urea
CID 89250863

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylphenyl)-4-(diethoxyphosphorylmethoxy)benzamide?
The IUPAC name of N-(3-amino-4-methylphenyl)-4-(diethoxyphosphorylmethoxy)benzamide (CID 143223139) is N-(3-amino-4-methylphenyl)-4-(diethoxyphosphorylmethoxy)benzamide.
What is the SMILES notation for N-(3-amino-4-methylphenyl)-4-(diethoxyphosphorylmethoxy)benzamide?
The canonical SMILES for N-(3-amino-4-methylphenyl)-4-(diethoxyphosphorylmethoxy)benzamide is CCOP(=O)(COc1ccc(C(=O)Nc2ccc(C)c(N)c2)cc1)OCC.
What is the InChIKey of N-(3-amino-4-methylphenyl)-4-(diethoxyphosphorylmethoxy)benzamide?
The InChIKey is ZQSKRWDZHSUOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N2O5P/c1-4-25-27(23,26-5-2)13-24-17-10-7-15(8-11-17)19(22)21-16-9-6-14(3)18(20)12-16/h6-12H,4-5,13,20H2,1-3H3,(H,21,22).
What are the key properties of N-(3-amino-4-methylphenyl)-4-(diethoxyphosphorylmethoxy)benzamide?
N-(3-amino-4-methylphenyl)-4-(diethoxyphosphorylmethoxy)benzamide has a molecular weight of 392.39 g/mol, XLogP of 4.43, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylphenyl)-4-(diethoxyphosphorylmethoxy)benzamide is sourced from PubChem (CID 143223139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).