2-[[2-(dimethylamino)-2-oxoethoxy]-[[[(1S)-2-(4-phenylphenyl)-1-(2H-tetrazol-5-yl)ethyl]amino]methyl]phosphoryl]oxy-N,N-dimethylacetamide

C24H32N7O5P — CID 54062494

IUPAC2-[[2-(dimethylamino)-2-oxoethoxy]-[[[(1S)-2-(4-phenylphenyl)-1-(2H-tetrazol-5-yl)ethyl]amino]methyl]phosphoryl]oxy-N,N-dimethylacetamide
SMILESCN(C)C(=O)COP(=O)(CN[C@@H](Cc1ccc(-c2ccccc2)cc1)c1nn[nH]n1)OCC(=O)N(C)C
InChIInChI=1S/C24H32N7O5P/c1-30(2)22(32)15-35-37(34,36-16-23(33)31(3)4)17-25-21(24-26-28-29-27-24)14-18-10-12-20(13-11-18)19-8-6-5-7-9-19/h5-13,21,25H,14-17H2,1-4H3,(H,26,27,28,29)/t21-/m0/s1
InChIKeyMASGDMOROCHGTN-NRFANRHFSA-N
MW529.54 g/mol
LogP2.10
Rot. Bonds13

About 2-[[2-(dimethylamino)-2-oxoethoxy]-[[[(1S)-2-(4-phenylphenyl)-1-(2H-tetrazol-5-yl)ethyl]amino]methyl]phosphoryl]oxy-N,N-dimethylacetamide

2-[[2-(dimethylamino)-2-oxoethoxy]-[[[(1S)-2-(4-phenylphenyl)-1-(2H-tetrazol-5-yl)ethyl]amino]methyl]phosphoryl]oxy-N,N-dimethylacetamide (PubChem CID 54062494) has the molecular formula C24H32N7O5P and a molecular weight of 529.54 g/mol. Its IUPAC name is 2-[[2-(dimethylamino)-2-oxoethoxy]-[[[(1S)-2-(4-phenylphenyl)-1-(2H-tetrazol-5-yl)ethyl]amino]methyl]phosphoryl]oxy-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[2-(dimethylamino)-2-oxoethoxy]-[[[(1S)-2-(4-phenylphenyl)-1-(2H-tetrazol-5-yl)ethyl]amino]methyl]phosphoryl]oxy-N,N-dimethylacetamide
PubChem CID54062494
Molecular FormulaC24H32N7O5P
Molecular Weight529.54 g/mol
Exact Mass529.22
IUPAC Name2-[[2-(dimethylamino)-2-oxoethoxy]-[[[(1S)-2-(4-phenylphenyl)-1-(2H-tetrazol-5-yl)ethyl]amino]methyl]phosphoryl]oxy-N,N-dimethylacetamide
SMILESCN(C)C(=O)COP(=O)(CN[C@@H](Cc1ccc(-c2ccccc2)cc1)c1nn[nH]n1)OCC(=O)N(C)C
InChIInChI=1S/C24H32N7O5P/c1-30(2)22(32)15-35-37(34,36-16-23(33)31(3)4)17-25-21(24-26-28-29-27-24)14-18-10-12-20(13-11-18)19-8-6-5-7-9-19/h5-13,21,25H,14-17H2,1-4H3,(H,26,27,28,29)/t21-/m0/s1
InChIKeyMASGDMOROCHGTN-NRFANRHFSA-N
XLogP2.10
TPSA142.64 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.54
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 2-[[2-(dimethylamino)-2-oxoethoxy]-[[[(1S)-2-(4-phenylphenyl)-1-(2H-tetrazol-5-yl)ethyl]amino]methyl]phosphoryl]oxy-N,N-dimethylacetamide 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

2-oxo-N-[2-phenyl-1-(2H-tetrazol-5-yl)ethyl]butanamide
CID 70868647
3-chloro-N-[1-cyano-2-(4-phenylphenyl)ethyl]-4-propan-2-yloxybenzamide;3-chloro-N-[2-(4-phenylphenyl)-1-(2H-tetrazol-5-yl)ethyl]-4-propan-2-yloxybenzamide
CID 158816272
ethane;5-[(2S)-1-(4-phenylphenyl)propan-2-yl]-2H-tetrazole;(1S)-2-(4-phenylphenyl)-1-(2H-tetrazol-5-yl)ethanamine
CID 158292765
tert-butyl N-[(1S)-2-(4-chlorophenyl)-1-(2H-tetrazol-5-yl)ethyl]carbamate
CID 135255285
(1S)-N-(diphenoxyphosphorylmethyl)-4-(2-methoxyphenyl)-1-(2H-tetrazol-5-yl)but-3-yn-1-amine
CID 10576990
5-[1-(4-phenylphenoxy)ethyl]-2H-tetrazole
CID 123240955
[3-phenyl-1-(2H-tetrazol-5-yl)propyl]carbamic acid
CID 22626937
[(1R)-2-phenylmethoxy-1-(2H-tetrazol-5-yl)ethyl]carbamic acid
CID 118308786
3-[5-[1-(diphenoxyphosphorylmethylamino)-2-(4-phenylphenyl)ethyl]tetrazol-1-yl]propanenitrile
CID 57118447
(2R,4S)-2-methyl-5-(4-phenylphenyl)-4-[[2-(2H-tetrazol-5-yl)acetyl]amino]pentanoic acid
CID 59608320
(2S,3S)-2-propan-2-yl-4-[4-(1H-pyrazol-4-yl)phenyl]-3-(2H-tetrazol-5-yl)butanoic acid
CID 118506018
2-[[(3S)-3-(diethoxyphosphorylmethyl)-2-oxo-1-phenyl-4-(4-phenylphenyl)butyl]amino]propanoic acid
CID 54482148

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(dimethylamino)-2-oxoethoxy]-[[[(1S)-2-(4-phenylphenyl)-1-(2H-tetrazol-5-yl)ethyl]amino]methyl]phosphoryl]oxy-N,N-dimethylacetamide?
The IUPAC name of 2-[[2-(dimethylamino)-2-oxoethoxy]-[[[(1S)-2-(4-phenylphenyl)-1-(2H-tetrazol-5-yl)ethyl]amino]methyl]phosphoryl]oxy-N,N-dimethylacetamide (CID 54062494) is 2-[[2-(dimethylamino)-2-oxoethoxy]-[[[(1S)-2-(4-phenylphenyl)-1-(2H-tetrazol-5-yl)ethyl]amino]methyl]phosphoryl]oxy-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[2-(dimethylamino)-2-oxoethoxy]-[[[(1S)-2-(4-phenylphenyl)-1-(2H-tetrazol-5-yl)ethyl]amino]methyl]phosphoryl]oxy-N,N-dimethylacetamide?
The canonical SMILES for 2-[[2-(dimethylamino)-2-oxoethoxy]-[[[(1S)-2-(4-phenylphenyl)-1-(2H-tetrazol-5-yl)ethyl]amino]methyl]phosphoryl]oxy-N,N-dimethylacetamide is CN(C)C(=O)COP(=O)(CN[C@@H](Cc1ccc(-c2ccccc2)cc1)c1nn[nH]n1)OCC(=O)N(C)C.
What is the InChIKey of 2-[[2-(dimethylamino)-2-oxoethoxy]-[[[(1S)-2-(4-phenylphenyl)-1-(2H-tetrazol-5-yl)ethyl]amino]methyl]phosphoryl]oxy-N,N-dimethylacetamide?
The InChIKey is MASGDMOROCHGTN-NRFANRHFSA-N. The full InChI is InChI=1S/C24H32N7O5P/c1-30(2)22(32)15-35-37(34,36-16-23(33)31(3)4)17-25-21(24-26-28-29-27-24)14-18-10-12-20(13-11-18)19-8-6-5-7-9-19/h5-13,21,25H,14-17H2,1-4H3,(H,26,27,28,29)/t21-/m0/s1.
What are the key properties of 2-[[2-(dimethylamino)-2-oxoethoxy]-[[[(1S)-2-(4-phenylphenyl)-1-(2H-tetrazol-5-yl)ethyl]amino]methyl]phosphoryl]oxy-N,N-dimethylacetamide?
2-[[2-(dimethylamino)-2-oxoethoxy]-[[[(1S)-2-(4-phenylphenyl)-1-(2H-tetrazol-5-yl)ethyl]amino]methyl]phosphoryl]oxy-N,N-dimethylacetamide has a molecular weight of 529.54 g/mol, XLogP of 2.10, 13 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(dimethylamino)-2-oxoethoxy]-[[[(1S)-2-(4-phenylphenyl)-1-(2H-tetrazol-5-yl)ethyl]amino]methyl]phosphoryl]oxy-N,N-dimethylacetamide is sourced from PubChem (CID 54062494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).