4-cyclopentyl-N-[3-(cyclopropylmethylamino)-2-hydroxypropyl]butanamide

C16H30N2O2 — CID 46199678

IUPAC4-cyclopentyl-N-[3-(cyclopropylmethylamino)-2-hydroxypropyl]butanamide
SMILESO=C(CCCC1CCCC1)NCC(O)CNCC1CC1
InChIInChI=1S/C16H30N2O2/c19-15(11-17-10-14-8-9-14)12-18-16(20)7-3-6-13-4-1-2-5-13/h13-15,17,19H,1-12H2,(H,18,20)
InChIKeyJSXHFPKBLAOYMA-UHFFFAOYSA-N
MW282.43 g/mol
LogP1.82
Rot. Bonds10

About 4-cyclopentyl-N-[3-(cyclopropylmethylamino)-2-hydroxypropyl]butanamide

4-cyclopentyl-N-[3-(cyclopropylmethylamino)-2-hydroxypropyl]butanamide (PubChem CID 46199678) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 4-cyclopentyl-N-[3-(cyclopropylmethylamino)-2-hydroxypropyl]butanamide.

Molecular Properties

Compound Name4-cyclopentyl-N-[3-(cyclopropylmethylamino)-2-hydroxypropyl]butanamide
PubChem CID46199678
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name4-cyclopentyl-N-[3-(cyclopropylmethylamino)-2-hydroxypropyl]butanamide
SMILESO=C(CCCC1CCCC1)NCC(O)CNCC1CC1
InChIInChI=1S/C16H30N2O2/c19-15(11-17-10-14-8-9-14)12-18-16(20)7-3-6-13-4-1-2-5-13/h13-15,17,19H,1-12H2,(H,18,20)
InChIKeyJSXHFPKBLAOYMA-UHFFFAOYSA-N
XLogP1.82
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-cyclopentyl-N-[3-(cyclopropylmethylamino)-2-hydroxypropyl]butanamide 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-(4-cyclohexylbutanoylamino)-2-hydroxypropanoic acid
CID 66166053
(2S)-3-(4-cyclohexylbutanoylamino)-2-hydroxypropanoic acid
CID 107833229
methyl 3-(4-cyclohexylbutanoylamino)-2-hydroxypropanoate
CID 103879246
2-(4-cyclohexylbutanoylamino)acetic acid
CID 15704415
3-(3-cyclopentylpropanoylamino)-2-hydroxypropanoic acid
CID 66164999
N-(3-aminopropyl)-4-cyclopentylbutanamide
CID 119409090
3-(4-cyclohexylbutanoylamino)propanoic acid
CID 43241269
4-cyclohexyl-N-[(1-hydroxycyclobutyl)methyl]butanamide
CID 115643503
4-cyclopentyl-N-[2-(ethylamino)ethyl]butanamide;hydrochloride
CID 119509622
4-(cyclohexylmethylamino)-3-hydroxybutanoic acid
CID 103237864
3-cyclopentyl-N-(2-methylpropyl)propanamide
CID 918369
2-cyclopentyl-N-(2,3-dihydroxypropyl)acetamide
CID 66175167

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-N-[3-(cyclopropylmethylamino)-2-hydroxypropyl]butanamide?
The IUPAC name of 4-cyclopentyl-N-[3-(cyclopropylmethylamino)-2-hydroxypropyl]butanamide (CID 46199678) is 4-cyclopentyl-N-[3-(cyclopropylmethylamino)-2-hydroxypropyl]butanamide.
What is the SMILES notation for 4-cyclopentyl-N-[3-(cyclopropylmethylamino)-2-hydroxypropyl]butanamide?
The canonical SMILES for 4-cyclopentyl-N-[3-(cyclopropylmethylamino)-2-hydroxypropyl]butanamide is O=C(CCCC1CCCC1)NCC(O)CNCC1CC1.
What is the InChIKey of 4-cyclopentyl-N-[3-(cyclopropylmethylamino)-2-hydroxypropyl]butanamide?
The InChIKey is JSXHFPKBLAOYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c19-15(11-17-10-14-8-9-14)12-18-16(20)7-3-6-13-4-1-2-5-13/h13-15,17,19H,1-12H2,(H,18,20).
What are the key properties of 4-cyclopentyl-N-[3-(cyclopropylmethylamino)-2-hydroxypropyl]butanamide?
4-cyclopentyl-N-[3-(cyclopropylmethylamino)-2-hydroxypropyl]butanamide has a molecular weight of 282.43 g/mol, XLogP of 1.82, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-N-[3-(cyclopropylmethylamino)-2-hydroxypropyl]butanamide is sourced from PubChem (CID 46199678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).