N-[2-[[1-[2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-3-phenylbenzamide

C24H28N2O5 — CID 142265135

IUPACN-[2-[[1-[2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-3-phenylbenzamide
SMILESCC(C)CC(NC(=O)CNC(=O)c1cccc(-c2ccccc2)c1)C(=O)C1(CO)CO1
InChIInChI=1S/C24H28N2O5/c1-16(2)11-20(22(29)24(14-27)15-31-24)26-21(28)13-25-23(30)19-10-6-9-18(12-19)17-7-4-3-5-8-17/h3-10,12,16,20,27H,11,13-15H2,1-2H3,(H,25,30)(H,26,28)
InChIKeyVXWWHGJECZYAOS-UHFFFAOYSA-N
MW424.50 g/mol
LogP1.94
Rot. Bonds10

About N-[2-[[1-[2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-3-phenylbenzamide

N-[2-[[1-[2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-3-phenylbenzamide (PubChem CID 142265135) has the molecular formula C24H28N2O5 and a molecular weight of 424.50 g/mol. Its IUPAC name is N-[2-[[1-[2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-3-phenylbenzamide.

Molecular Properties

Compound NameN-[2-[[1-[2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-3-phenylbenzamide
PubChem CID142265135
Molecular FormulaC24H28N2O5
Molecular Weight424.50 g/mol
Exact Mass424.20
IUPAC NameN-[2-[[1-[2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-3-phenylbenzamide
SMILESCC(C)CC(NC(=O)CNC(=O)c1cccc(-c2ccccc2)c1)C(=O)C1(CO)CO1
InChIInChI=1S/C24H28N2O5/c1-16(2)11-20(22(29)24(14-27)15-31-24)26-21(28)13-25-23(30)19-10-6-9-18(12-19)17-7-4-3-5-8-17/h3-10,12,16,20,27H,11,13-15H2,1-2H3,(H,25,30)(H,26,28)
InChIKeyVXWWHGJECZYAOS-UHFFFAOYSA-N
XLogP1.94
TPSA108.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze N-[2-[[1-[2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-3-phenylbenzamide 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

N-[(2S)-3-hydroxy-1-[[1-[(2S)-2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-3-phenylbenzamide
CID 142265112
benzyl N-[3-[[1-[2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-3-oxo-2-[(3-phenylbenzoyl)amino]propyl]carbamate
CID 76573888
3-benzyl-N-[3-hydroxy-1-[[1-[2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]benzamide
CID 76574032
(2S)-2-[[2-[(2-benzamidoacetyl)amino]acetyl]amino]-4-methylpentanoic acid
CID 120695696
4-diphenylphosphoryl-N-[3-hydroxy-1-[[1-[2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]benzamide
CID 76574022
3,4-dichloro-N-[(2S)-3-hydroxy-1-[[1-[2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]benzamide
CID 89131893
4-fluoro-N-[(2S)-1-[[1-[2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-3-(2-methylpropyl)benzamide
CID 89132011
(2S)-4-methyl-2-[[2-[(3-pyrrol-1-ylbenzoyl)amino]acetyl]amino]pentanoic acid
CID 120694912
N-[3-hydroxy-1-[[1-[2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-4-methoxybenzamide
CID 76573861
3-amino-N-[1-[2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]-2-methylpropanamide
CID 142265147
N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-phenylbenzamide
CID 110359324
N-[3-hydroxy-1-[[1-[2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulene-7-carboxamide
CID 76573950

Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-[2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-3-phenylbenzamide?
The IUPAC name of N-[2-[[1-[2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-3-phenylbenzamide (CID 142265135) is N-[2-[[1-[2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-3-phenylbenzamide.
What is the SMILES notation for N-[2-[[1-[2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-3-phenylbenzamide?
The canonical SMILES for N-[2-[[1-[2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-3-phenylbenzamide is CC(C)CC(NC(=O)CNC(=O)c1cccc(-c2ccccc2)c1)C(=O)C1(CO)CO1.
What is the InChIKey of N-[2-[[1-[2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-3-phenylbenzamide?
The InChIKey is VXWWHGJECZYAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O5/c1-16(2)11-20(22(29)24(14-27)15-31-24)26-21(28)13-25-23(30)19-10-6-9-18(12-19)17-7-4-3-5-8-17/h3-10,12,16,20,27H,11,13-15H2,1-2H3,(H,25,30)(H,26,28).
What are the key properties of N-[2-[[1-[2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-3-phenylbenzamide?
N-[2-[[1-[2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-3-phenylbenzamide has a molecular weight of 424.50 g/mol, XLogP of 1.94, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-[2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-3-phenylbenzamide is sourced from PubChem (CID 142265135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).