N-(3,3-dimethylcyclopentyl)-4-ethoxybutanamide

C13H25NO2 — CID 115881736

IUPACN-(3,3-dimethylcyclopentyl)-4-ethoxybutanamide
SMILESCCOCCCC(=O)NC1CCC(C)(C)C1
InChIInChI=1S/C13H25NO2/c1-4-16-9-5-6-12(15)14-11-7-8-13(2,3)10-11/h11H,4-10H2,1-3H3,(H,14,15)
InChIKeyYCKYRHKINZITCR-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.50
Rot. Bonds6

About N-(3,3-dimethylcyclopentyl)-4-ethoxybutanamide

N-(3,3-dimethylcyclopentyl)-4-ethoxybutanamide (PubChem CID 115881736) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is N-(3,3-dimethylcyclopentyl)-4-ethoxybutanamide.

Molecular Properties

Compound NameN-(3,3-dimethylcyclopentyl)-4-ethoxybutanamide
PubChem CID115881736
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC NameN-(3,3-dimethylcyclopentyl)-4-ethoxybutanamide
SMILESCCOCCCC(=O)NC1CCC(C)(C)C1
InChIInChI=1S/C13H25NO2/c1-4-16-9-5-6-12(15)14-11-7-8-13(2,3)10-11/h11H,4-10H2,1-3H3,(H,14,15)
InChIKeyYCKYRHKINZITCR-UHFFFAOYSA-N
XLogP2.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3,3-dimethylcyclopentyl)-4-ethoxybutanamide 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-isopropyl-4-methyltetrahydro-2H-pyran-4-carboxamide
CID 126993597
N-(5,5-dimethylhexyl)-4-methoxybutanamide
CID 134402007
4-ethoxy-N-(2-ethyl-2-methylpentyl)-2,2-dimethylbutanamide
CID 168959505
(3S)-N-[(3R)-2,2-dimethylhexan-3-yl]oxolane-3-carboxamide
CID 169194359
CID 173977953
CID 173977953
N-[(2R)-hexan-2-yl]-4-(3-methoxy-2,2-dimethylpropoxy)-3,3-dimethylbutanamide
CID 174208573
2,2-dimethyl-N-propan-2-yl-4-propoxybutanamide
CID 174322998
4-(2,2-dimethylpentoxy)-3,3-dimethyl-N-propan-2-ylbutanamide
CID 178168451
N-(2,2,5-trimethylhexan-3-yl)oxane-4-carboxamide
CID 60334660
4-(aminomethyl)-N-(2-methylcyclopentyl)oxane-4-carboxamide
CID 63281671
Ethyl 4-[(1-methylcyclopentyl)methylamino]-4-oxobutanoate
CID 63820850
2-amino-4-methoxy-N-[(1-methylcyclopentyl)methyl]butanamide
CID 63829970

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylcyclopentyl)-4-ethoxybutanamide?
The IUPAC name of N-(3,3-dimethylcyclopentyl)-4-ethoxybutanamide (CID 115881736) is N-(3,3-dimethylcyclopentyl)-4-ethoxybutanamide.
What is the SMILES notation for N-(3,3-dimethylcyclopentyl)-4-ethoxybutanamide?
The canonical SMILES for N-(3,3-dimethylcyclopentyl)-4-ethoxybutanamide is CCOCCCC(=O)NC1CCC(C)(C)C1.
What is the InChIKey of N-(3,3-dimethylcyclopentyl)-4-ethoxybutanamide?
The InChIKey is YCKYRHKINZITCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-4-16-9-5-6-12(15)14-11-7-8-13(2,3)10-11/h11H,4-10H2,1-3H3,(H,14,15).
What are the key properties of N-(3,3-dimethylcyclopentyl)-4-ethoxybutanamide?
N-(3,3-dimethylcyclopentyl)-4-ethoxybutanamide has a molecular weight of 227.35 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylcyclopentyl)-4-ethoxybutanamide is sourced from PubChem (CID 115881736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).