N-cyclopentyl-2-(2,5-dioxo-1-propylimidazolidin-4-yl)-N-[(4-methylphenyl)methyl]acetamide

C21H29N3O3 — CID 91831351

IUPACN-cyclopentyl-2-(2,5-dioxo-1-propylimidazolidin-4-yl)-N-[(4-methylphenyl)methyl]acetamide
SMILESCCCN1C(=O)NC(CC(=O)N(Cc2ccc(C)cc2)C2CCCC2)C1=O
InChIInChI=1S/C21H29N3O3/c1-3-12-23-20(26)18(22-21(23)27)13-19(25)24(17-6-4-5-7-17)14-16-10-8-15(2)9-11-16/h8-11,17-18H,3-7,12-14H2,1-2H3,(H,22,27)
InChIKeyUWTNVTHBGXZIBF-UHFFFAOYSA-N
MW371.48 g/mol
LogP2.99
Rot. Bonds7

About N-cyclopentyl-2-(2,5-dioxo-1-propylimidazolidin-4-yl)-N-[(4-methylphenyl)methyl]acetamide

N-cyclopentyl-2-(2,5-dioxo-1-propylimidazolidin-4-yl)-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 91831351) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is N-cyclopentyl-2-(2,5-dioxo-1-propylimidazolidin-4-yl)-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(2,5-dioxo-1-propylimidazolidin-4-yl)-N-[(4-methylphenyl)methyl]acetamide
PubChem CID91831351
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC NameN-cyclopentyl-2-(2,5-dioxo-1-propylimidazolidin-4-yl)-N-[(4-methylphenyl)methyl]acetamide
SMILESCCCN1C(=O)NC(CC(=O)N(Cc2ccc(C)cc2)C2CCCC2)C1=O
InChIInChI=1S/C21H29N3O3/c1-3-12-23-20(26)18(22-21(23)27)13-19(25)24(17-6-4-5-7-17)14-16-10-8-15(2)9-11-16/h8-11,17-18H,3-7,12-14H2,1-2H3,(H,22,27)
InChIKeyUWTNVTHBGXZIBF-UHFFFAOYSA-N
XLogP2.99
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,5-dioxo-1-propylimidazolidin-4-yl)-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]acetamide
CID 91828409
5-[2-[4-(4-methylphenyl)-3-oxopiperazin-1-yl]-2-oxoethyl]-3-propylimidazolidine-2,4-dione
CID 70736014
2-[(4S)-2,5-dioxo-1-propylimidazolidin-4-yl]-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]acetamide
CID 124852422
N-cyclopropyl-N-[(4-methylphenyl)methyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide
CID 32590164
(5S)-3-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-5-propylimidazolidine-2,4-dione
CID 9104468
2-[(4R)-2,5-dioxo-1-propylimidazolidin-4-yl]-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 124752517
N-[(4-methylphenyl)methyl]-N-(1-methylpiperidin-4-yl)-2-(4-propylphenyl)acetamide;hydrochloride
CID 23512950
2-[(4R)-2,5-dioxo-1-propylimidazolidin-4-yl]-N-[(1R,6R,7S,8R)-8-phenyl-7-bicyclo[4.2.0]octanyl]acetamide
CID 125037369
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)acetamide
CID 78814100
N-cyclohexyl-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(4-fluorophenyl)methyl]propanamide
CID 46632464
N-cyclopropyl-2-(1,4-diazepan-1-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 119906027
2-(4-iodophenyl)-N-[(4-methylphenyl)methyl]-N-(1-methylpiperidin-4-yl)acetamide
CID 68956341

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(2,5-dioxo-1-propylimidazolidin-4-yl)-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of N-cyclopentyl-2-(2,5-dioxo-1-propylimidazolidin-4-yl)-N-[(4-methylphenyl)methyl]acetamide (CID 91831351) is N-cyclopentyl-2-(2,5-dioxo-1-propylimidazolidin-4-yl)-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-(2,5-dioxo-1-propylimidazolidin-4-yl)-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for N-cyclopentyl-2-(2,5-dioxo-1-propylimidazolidin-4-yl)-N-[(4-methylphenyl)methyl]acetamide is CCCN1C(=O)NC(CC(=O)N(Cc2ccc(C)cc2)C2CCCC2)C1=O.
What is the InChIKey of N-cyclopentyl-2-(2,5-dioxo-1-propylimidazolidin-4-yl)-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is UWTNVTHBGXZIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-3-12-23-20(26)18(22-21(23)27)13-19(25)24(17-6-4-5-7-17)14-16-10-8-15(2)9-11-16/h8-11,17-18H,3-7,12-14H2,1-2H3,(H,22,27).
What are the key properties of N-cyclopentyl-2-(2,5-dioxo-1-propylimidazolidin-4-yl)-N-[(4-methylphenyl)methyl]acetamide?
N-cyclopentyl-2-(2,5-dioxo-1-propylimidazolidin-4-yl)-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 371.48 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(2,5-dioxo-1-propylimidazolidin-4-yl)-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 91831351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).