N-[[dimethylphosphorylmethyl-[(4-methoxyphenyl)methyl]amino]methyl]-N-hydroxy-2-phenylacetamide

C20H27N2O4P — CID 59082739

IUPACN-[[dimethylphosphorylmethyl-[(4-methoxyphenyl)methyl]amino]methyl]-N-hydroxy-2-phenylacetamide
SMILESCOc1ccc(CN(CN(O)C(=O)Cc2ccccc2)CP(C)(C)=O)cc1
InChIInChI=1S/C20H27N2O4P/c1-26-19-11-9-18(10-12-19)14-21(16-27(2,3)25)15-22(24)20(23)13-17-7-5-4-6-8-17/h4-12,24H,13-16H2,1-3H3
InChIKeyQVIQEKYUXPVDST-UHFFFAOYSA-N
MW390.42 g/mol
LogP3.50
Rot. Bonds9

About N-[[dimethylphosphorylmethyl-[(4-methoxyphenyl)methyl]amino]methyl]-N-hydroxy-2-phenylacetamide

N-[[dimethylphosphorylmethyl-[(4-methoxyphenyl)methyl]amino]methyl]-N-hydroxy-2-phenylacetamide (PubChem CID 59082739) has the molecular formula C20H27N2O4P and a molecular weight of 390.42 g/mol. Its IUPAC name is N-[[dimethylphosphorylmethyl-[(4-methoxyphenyl)methyl]amino]methyl]-N-hydroxy-2-phenylacetamide.

Molecular Properties

Compound NameN-[[dimethylphosphorylmethyl-[(4-methoxyphenyl)methyl]amino]methyl]-N-hydroxy-2-phenylacetamide
PubChem CID59082739
Molecular FormulaC20H27N2O4P
Molecular Weight390.42 g/mol
Exact Mass390.17
IUPAC NameN-[[dimethylphosphorylmethyl-[(4-methoxyphenyl)methyl]amino]methyl]-N-hydroxy-2-phenylacetamide
SMILESCOc1ccc(CN(CN(O)C(=O)Cc2ccccc2)CP(C)(C)=O)cc1
InChIInChI=1S/C20H27N2O4P/c1-26-19-11-9-18(10-12-19)14-21(16-27(2,3)25)15-22(24)20(23)13-17-7-5-4-6-8-17/h4-12,24H,13-16H2,1-3H3
InChIKeyQVIQEKYUXPVDST-UHFFFAOYSA-N
XLogP3.50
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-N-hydroxy-2-phenylacetamide
CID 10933642
[[2-(hydroxyamino)-2-oxoethyl]-[(4-methoxyphenyl)methyl]amino]methyl-methylphosphinic acid
CID 142100389
2-[benzyl(propyl)amino]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 78823618
N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methoxyphenyl)methyl-(2-phenylacetyl)amino]-2-phenylacetamide
CID 133238791
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
N-[(4-methoxyphenyl)methyl]-N-methyl-2-(4-sulfanylphenyl)acetamide
CID 107024320
[4-[[benzyl-[(4-methoxyphenyl)methyl]amino]methyl]phenyl]methanamine
CID 142934531
N-(1,3-benzodioxol-5-ylmethyl)-N-[(4-methoxyphenyl)methyl]-2-phenylacetamide
CID 42724435
N-butyl-2-[(4-methoxyphenyl)methyl-(2-phenylacetyl)amino]-2-phenylacetamide
CID 133238775
N-benzyl-N-[4-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]propanamide
CID 46045773
2-amino-N-benzyl-N-(4-methoxyphenyl)acetamide;hydrochloride
CID 119032182
2-[[(4-methoxyphenyl)methyl-methylamino]methyl]benzoic acid
CID 61418111

Frequently Asked Questions

What is the IUPAC name of N-[[dimethylphosphorylmethyl-[(4-methoxyphenyl)methyl]amino]methyl]-N-hydroxy-2-phenylacetamide?
The IUPAC name of N-[[dimethylphosphorylmethyl-[(4-methoxyphenyl)methyl]amino]methyl]-N-hydroxy-2-phenylacetamide (CID 59082739) is N-[[dimethylphosphorylmethyl-[(4-methoxyphenyl)methyl]amino]methyl]-N-hydroxy-2-phenylacetamide.
What is the SMILES notation for N-[[dimethylphosphorylmethyl-[(4-methoxyphenyl)methyl]amino]methyl]-N-hydroxy-2-phenylacetamide?
The canonical SMILES for N-[[dimethylphosphorylmethyl-[(4-methoxyphenyl)methyl]amino]methyl]-N-hydroxy-2-phenylacetamide is COc1ccc(CN(CN(O)C(=O)Cc2ccccc2)CP(C)(C)=O)cc1.
What is the InChIKey of N-[[dimethylphosphorylmethyl-[(4-methoxyphenyl)methyl]amino]methyl]-N-hydroxy-2-phenylacetamide?
The InChIKey is QVIQEKYUXPVDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N2O4P/c1-26-19-11-9-18(10-12-19)14-21(16-27(2,3)25)15-22(24)20(23)13-17-7-5-4-6-8-17/h4-12,24H,13-16H2,1-3H3.
What are the key properties of N-[[dimethylphosphorylmethyl-[(4-methoxyphenyl)methyl]amino]methyl]-N-hydroxy-2-phenylacetamide?
N-[[dimethylphosphorylmethyl-[(4-methoxyphenyl)methyl]amino]methyl]-N-hydroxy-2-phenylacetamide has a molecular weight of 390.42 g/mol, XLogP of 3.50, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[dimethylphosphorylmethyl-[(4-methoxyphenyl)methyl]amino]methyl]-N-hydroxy-2-phenylacetamide is sourced from PubChem (CID 59082739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).