(2S)-N-cyclopropyl-2-[(4S)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide

C17H21N3O4 — CID 9451600

IUPAC(2S)-N-cyclopropyl-2-[(4S)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide
SMILESCOc1cccc([C@]2(C)NC(=O)N([C@@H](C)C(=O)NC3CC3)C2=O)c1
InChIInChI=1S/C17H21N3O4/c1-10(14(21)18-12-7-8-12)20-15(22)17(2,19-16(20)23)11-5-4-6-13(9-11)24-3/h4-6,9-10,12H,7-8H2,1-3H3,(H,18,21)(H,19,23)/t10-,17-/m0/s1
InChIKeyQBUHBYALKCWECQ-BTDLBPIBSA-N
MW331.37 g/mol
LogP1.13
Rot. Bonds5

About (2S)-N-cyclopropyl-2-[(4S)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide

(2S)-N-cyclopropyl-2-[(4S)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide (PubChem CID 9451600) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is (2S)-N-cyclopropyl-2-[(4S)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-cyclopropyl-2-[(4S)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide
PubChem CID9451600
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name(2S)-N-cyclopropyl-2-[(4S)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide
SMILESCOc1cccc([C@]2(C)NC(=O)N([C@@H](C)C(=O)NC3CC3)C2=O)c1
InChIInChI=1S/C17H21N3O4/c1-10(14(21)18-12-7-8-12)20-15(22)17(2,19-16(20)23)11-5-4-6-13(9-11)24-3/h4-6,9-10,12H,7-8H2,1-3H3,(H,18,21)(H,19,23)/t10-,17-/m0/s1
InChIKeyQBUHBYALKCWECQ-BTDLBPIBSA-N
XLogP1.13
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S)-N-cyclopropyl-2-[(4S)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide 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

(2S)-N-cyclopropyl-2-[(4R)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide
CID 9451598
(2S)-2-[(4S)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclopropylpropanamide
CID 41088027
(2S)-N-cyclohexyl-2-[(4S)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide
CID 9449775
N-cyclopropyl-2-[[(4R)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl-methylamino]acetamide
CID 9286027
(2R)-N-cyclopentyl-2-[(4S)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide
CID 9449768
N-[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[4-(propan-2-ylamino)piperidin-1-yl]acetamide
CID 56570097
3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 47556168
1-[(4R)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-[(1R,2S)-2-methylcyclohexyl]thiourea
CID 8789006
2-[(4S)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-phenyl-N-propan-2-ylacetamide
CID 25497659
N-cyclopropyl-2-(3-methoxyanilino)propanamide
CID 43085846
[(4S)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 9317543
6-[[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-6-oxohexanoic acid
CID 167773553

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopropyl-2-[(4S)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide?
The IUPAC name of (2S)-N-cyclopropyl-2-[(4S)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide (CID 9451600) is (2S)-N-cyclopropyl-2-[(4S)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-cyclopropyl-2-[(4S)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide?
The canonical SMILES for (2S)-N-cyclopropyl-2-[(4S)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide is COc1cccc([C@]2(C)NC(=O)N([C@@H](C)C(=O)NC3CC3)C2=O)c1.
What is the InChIKey of (2S)-N-cyclopropyl-2-[(4S)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide?
The InChIKey is QBUHBYALKCWECQ-BTDLBPIBSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-10(14(21)18-12-7-8-12)20-15(22)17(2,19-16(20)23)11-5-4-6-13(9-11)24-3/h4-6,9-10,12H,7-8H2,1-3H3,(H,18,21)(H,19,23)/t10-,17-/m0/s1.
What are the key properties of (2S)-N-cyclopropyl-2-[(4S)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide?
(2S)-N-cyclopropyl-2-[(4S)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide has a molecular weight of 331.37 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopropyl-2-[(4S)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide is sourced from PubChem (CID 9451600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).