3-[(3-cyclopentyl-2-hydroxypropyl)amino]-3-methylbutanamide

C13H26N2O2 — CID 103274874

IUPAC3-[(3-cyclopentyl-2-hydroxypropyl)amino]-3-methylbutanamide
SMILESCC(C)(CC(N)=O)NCC(O)CC1CCCC1
InChIInChI=1S/C13H26N2O2/c1-13(2,8-12(14)17)15-9-11(16)7-10-5-3-4-6-10/h10-11,15-16H,3-9H2,1-2H3,(H2,14,17)
InChIKeyMEGJUYIISKKWPS-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.17
Rot. Bonds7

About 3-[(3-cyclopentyl-2-hydroxypropyl)amino]-3-methylbutanamide

3-[(3-cyclopentyl-2-hydroxypropyl)amino]-3-methylbutanamide (PubChem CID 103274874) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 3-[(3-cyclopentyl-2-hydroxypropyl)amino]-3-methylbutanamide.

Molecular Properties

Compound Name3-[(3-cyclopentyl-2-hydroxypropyl)amino]-3-methylbutanamide
PubChem CID103274874
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name3-[(3-cyclopentyl-2-hydroxypropyl)amino]-3-methylbutanamide
SMILESCC(C)(CC(N)=O)NCC(O)CC1CCCC1
InChIInChI=1S/C13H26N2O2/c1-13(2,8-12(14)17)15-9-11(16)7-10-5-3-4-6-10/h10-11,15-16H,3-9H2,1-2H3,(H2,14,17)
InChIKeyMEGJUYIISKKWPS-UHFFFAOYSA-N
XLogP1.17
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[(3-cyclopentyl-2-hydroxypropyl)amino]-3-methylbutanamide 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-[(3-cyclopentyl-2-hydroxypropyl)amino]-3-methylbutan-2-ol
CID 103158372
3-[(2-hydroxy-3-methoxypropyl)amino]-3-methylbutanamide
CID 104580249
3-[[3-(dimethylamino)-2-hydroxypropyl]amino]-3-methylbutanamide
CID 106096310
3-[(3-cyclopentyl-2-hydroxypropyl)amino]butanamide
CID 103158365
3-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-3-methylbutanamide
CID 104580076
3-[(3-ethoxy-2-hydroxypropyl)amino]-3-methylbutanamide
CID 104580472
1-cyclopentyl-3-hydrazinylpropan-2-ol
CID 103156923
6-[(3-cyclopentyl-2-hydroxypropyl)amino]-4,4-dimethylhexanoic acid
CID 103159401
3-[(2-hydroxy-3-octoxypropyl)amino]-3-methylbutanamide
CID 104580494
1-cyclopentyl-3-(2,3,3-trimethylbutylamino)propan-2-ol
CID 103158223
2-[(3-cyclopentyl-2-hydroxypropyl)amino]-N-methylacetamide
CID 103157245
ethyl 3-[(3-cyclopentyl-2-hydroxypropyl)amino]propanoate
CID 103157624

Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyclopentyl-2-hydroxypropyl)amino]-3-methylbutanamide?
The IUPAC name of 3-[(3-cyclopentyl-2-hydroxypropyl)amino]-3-methylbutanamide (CID 103274874) is 3-[(3-cyclopentyl-2-hydroxypropyl)amino]-3-methylbutanamide.
What is the SMILES notation for 3-[(3-cyclopentyl-2-hydroxypropyl)amino]-3-methylbutanamide?
The canonical SMILES for 3-[(3-cyclopentyl-2-hydroxypropyl)amino]-3-methylbutanamide is CC(C)(CC(N)=O)NCC(O)CC1CCCC1.
What is the InChIKey of 3-[(3-cyclopentyl-2-hydroxypropyl)amino]-3-methylbutanamide?
The InChIKey is MEGJUYIISKKWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-13(2,8-12(14)17)15-9-11(16)7-10-5-3-4-6-10/h10-11,15-16H,3-9H2,1-2H3,(H2,14,17).
What are the key properties of 3-[(3-cyclopentyl-2-hydroxypropyl)amino]-3-methylbutanamide?
3-[(3-cyclopentyl-2-hydroxypropyl)amino]-3-methylbutanamide has a molecular weight of 242.36 g/mol, XLogP of 1.17, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-cyclopentyl-2-hydroxypropyl)amino]-3-methylbutanamide is sourced from PubChem (CID 103274874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).