N-[[1-(dimethylamino)cyclopentyl]methyl]-3-oxobutanamide

C12H22N2O2 — CID 83109875

IUPACN-[[1-(dimethylamino)cyclopentyl]methyl]-3-oxobutanamide
SMILESCC(=O)CC(=O)NCC1(N(C)C)CCCC1
InChIInChI=1S/C12H22N2O2/c1-10(15)8-11(16)13-9-12(14(2)3)6-4-5-7-12/h4-9H2,1-3H3,(H,13,16)
InChIKeyRNDYDCLFUAKWHL-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.96
Rot. Bonds5

About N-[[1-(dimethylamino)cyclopentyl]methyl]-3-oxobutanamide

N-[[1-(dimethylamino)cyclopentyl]methyl]-3-oxobutanamide (PubChem CID 83109875) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclopentyl]methyl]-3-oxobutanamide.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclopentyl]methyl]-3-oxobutanamide
PubChem CID83109875
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC NameN-[[1-(dimethylamino)cyclopentyl]methyl]-3-oxobutanamide
SMILESCC(=O)CC(=O)NCC1(N(C)C)CCCC1
InChIInChI=1S/C12H22N2O2/c1-10(15)8-11(16)13-9-12(14(2)3)6-4-5-7-12/h4-9H2,1-3H3,(H,13,16)
InChIKeyRNDYDCLFUAKWHL-UHFFFAOYSA-N
XLogP0.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze N-[[1-(dimethylamino)cyclopentyl]methyl]-3-oxobutanamide 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

3-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-sulfanylidenepropanamide
CID 83109897
N,N'-bis[[1-(dimethylamino)cyclohexyl]methyl]-3-methylpentanediamide
CID 167805292
6-[[1-(dimethylamino)cyclopentyl]methylamino]-6-oxohexanoic acid
CID 83116908
N-[[1-(dimethylamino)cyclopentyl]methyl]-4,4,4-trifluorobutanamide
CID 122564590
3-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]propanamide
CID 105415955
3-amino-N-[[1-(dimethylamino)cycloheptyl]methyl]butanamide
CID 119834021
N-[[1-(dimethylamino)cyclohexyl]methyl]-3-(ethylamino)propanamide
CID 62836666
N-[[1-(dimethylamino)cyclohexyl]methyl]-3-(propan-2-ylamino)propanamide
CID 61248624
5-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]pentanamide
CID 83117115
2-(2,2-difluorocyclopropyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]acetamide
CID 122568972
2-[(1S)-2,2-difluorocyclopropyl]-N-[[1-(dimethylamino)cycloheptyl]methyl]acetamide
CID 125445510
3-[[1-(dimethylamino)cyclopentyl]methyl]-1,1-diethylurea
CID 113223972

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclopentyl]methyl]-3-oxobutanamide?
The IUPAC name of N-[[1-(dimethylamino)cyclopentyl]methyl]-3-oxobutanamide (CID 83109875) is N-[[1-(dimethylamino)cyclopentyl]methyl]-3-oxobutanamide.
What is the SMILES notation for N-[[1-(dimethylamino)cyclopentyl]methyl]-3-oxobutanamide?
The canonical SMILES for N-[[1-(dimethylamino)cyclopentyl]methyl]-3-oxobutanamide is CC(=O)CC(=O)NCC1(N(C)C)CCCC1.
What is the InChIKey of N-[[1-(dimethylamino)cyclopentyl]methyl]-3-oxobutanamide?
The InChIKey is RNDYDCLFUAKWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-10(15)8-11(16)13-9-12(14(2)3)6-4-5-7-12/h4-9H2,1-3H3,(H,13,16).
What are the key properties of N-[[1-(dimethylamino)cyclopentyl]methyl]-3-oxobutanamide?
N-[[1-(dimethylamino)cyclopentyl]methyl]-3-oxobutanamide has a molecular weight of 226.32 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclopentyl]methyl]-3-oxobutanamide is sourced from PubChem (CID 83109875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).