4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1-phenylcyclopentyl)methyl]butanamide

C21H29N3O3 — CID 18128280

IUPAC4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1-phenylcyclopentyl)methyl]butanamide
SMILESCC1(C)NC(=O)N(CCCC(=O)NCC2(c3ccccc3)CCCC2)C1=O
InChIInChI=1S/C21H29N3O3/c1-20(2)18(26)24(19(27)23-20)14-8-11-17(25)22-15-21(12-6-7-13-21)16-9-4-3-5-10-16/h3-5,9-10H,6-8,11-15H2,1-2H3,(H,22,25)(H,23,27)
InChIKeyVNCPXQGVYILZMU-UHFFFAOYSA-N
MW371.48 g/mol
LogP2.73
Rot. Bonds7

About 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1-phenylcyclopentyl)methyl]butanamide

4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1-phenylcyclopentyl)methyl]butanamide (PubChem CID 18128280) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1-phenylcyclopentyl)methyl]butanamide.

Molecular Properties

Compound Name4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1-phenylcyclopentyl)methyl]butanamide
PubChem CID18128280
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Name4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1-phenylcyclopentyl)methyl]butanamide
SMILESCC1(C)NC(=O)N(CCCC(=O)NCC2(c3ccccc3)CCCC2)C1=O
InChIInChI=1S/C21H29N3O3/c1-20(2)18(26)24(19(27)23-20)14-8-11-17(25)22-15-21(12-6-7-13-21)16-9-4-3-5-10-16/h3-5,9-10H,6-8,11-15H2,1-2H3,(H,22,25)(H,23,27)
InChIKeyVNCPXQGVYILZMU-UHFFFAOYSA-N
XLogP2.73
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(2-phenoxyethyl)butanamide
CID 18111139
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[(1-phenylcyclopentyl)methyl]propanamide
CID 18133804
3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[(1-phenylcyclopentyl)methyl]propanamide
CID 24597399
4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(2-fluorophenyl)methyl]butanamide
CID 27845838
3-methoxy-N-[(1-phenylcyclopentyl)methyl]propanamide
CID 110480493
N-benzyl-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
CID 26465708
3-amino-N-[(1-phenylcyclobutyl)methyl]propanamide
CID 110460227
N-[2-(diethylamino)-3-phenylpropyl]-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanamide
CID 43067548
2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(1-phenylcycloheptyl)methyl]acetamide
CID 99803682
N-(3-aminobutyl)-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanamide;hydrochloride
CID 119498732
2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 51317259
4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[[4-(methoxymethyl)phenyl]methyl]butanamide
CID 55615122

Frequently Asked Questions

What is the IUPAC name of 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1-phenylcyclopentyl)methyl]butanamide?
The IUPAC name of 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1-phenylcyclopentyl)methyl]butanamide (CID 18128280) is 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1-phenylcyclopentyl)methyl]butanamide.
What is the SMILES notation for 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1-phenylcyclopentyl)methyl]butanamide?
The canonical SMILES for 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1-phenylcyclopentyl)methyl]butanamide is CC1(C)NC(=O)N(CCCC(=O)NCC2(c3ccccc3)CCCC2)C1=O.
What is the InChIKey of 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1-phenylcyclopentyl)methyl]butanamide?
The InChIKey is VNCPXQGVYILZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-20(2)18(26)24(19(27)23-20)14-8-11-17(25)22-15-21(12-6-7-13-21)16-9-4-3-5-10-16/h3-5,9-10H,6-8,11-15H2,1-2H3,(H,22,25)(H,23,27).
What are the key properties of 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1-phenylcyclopentyl)methyl]butanamide?
4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1-phenylcyclopentyl)methyl]butanamide has a molecular weight of 371.48 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1-phenylcyclopentyl)methyl]butanamide is sourced from PubChem (CID 18128280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).