N-cyclopentyl-N-(2-hydroxyethyl)-4-(methylamino)butanamide

C12H24N2O2 — CID 60953691

IUPACN-cyclopentyl-N-(2-hydroxyethyl)-4-(methylamino)butanamide
SMILESCNCCCC(=O)N(CCO)C1CCCC1
InChIInChI=1S/C12H24N2O2/c1-13-8-4-7-12(16)14(9-10-15)11-5-2-3-6-11/h11,13,15H,2-10H2,1H3
InChIKeyGQBWGAUZTPAOGQ-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.75
Rot. Bonds7

About N-cyclopentyl-N-(2-hydroxyethyl)-4-(methylamino)butanamide

N-cyclopentyl-N-(2-hydroxyethyl)-4-(methylamino)butanamide (PubChem CID 60953691) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-cyclopentyl-N-(2-hydroxyethyl)-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-cyclopentyl-N-(2-hydroxyethyl)-4-(methylamino)butanamide
PubChem CID60953691
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-cyclopentyl-N-(2-hydroxyethyl)-4-(methylamino)butanamide
SMILESCNCCCC(=O)N(CCO)C1CCCC1
InChIInChI=1S/C12H24N2O2/c1-13-8-4-7-12(16)14(9-10-15)11-5-2-3-6-11/h11,13,15H,2-10H2,1H3
InChIKeyGQBWGAUZTPAOGQ-UHFFFAOYSA-N
XLogP0.75
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclobutyl-N-(2-hydroxyethyl)-4-(methylamino)butanamide
CID 102862127
N-cyclopentyl-N-(2-hydroxyethyl)-3-(propan-2-ylamino)propanamide
CID 60953799
N-cyclobutyl-N-(2-hydroxyethyl)-3-(propan-2-ylamino)propanamide
CID 102862058
6-[cyclohexyl(2-hydroxyethyl)amino]-6-oxohexanoic acid
CID 54875131
5-chloro-N-cyclobutyl-N-(2-hydroxyethyl)pentanamide
CID 102861187
N-cyclopentyl-N-(2-hydroxyethyl)-3-oxobutanamide
CID 60952245
N-cyclopentyl-N-(2-hydroxyethyl)-3-sulfanylpropanamide
CID 107026376
N-cyclobutyl-3-(cyclopropylamino)-N-(2-hydroxyethyl)propanamide
CID 102862128
N-cyclopentyl-N-[2-(dimethylamino)ethyl]-4-hydroxybutanamide
CID 79205212
3-bromo-N-cyclobutyl-N-(2-hydroxyethyl)propanamide
CID 102861214
N-cyclohexyl-N-(2-hydroxyethyl)-3-methylsulfonylpropanamide
CID 54942745
5-[cyclopropyl(2-hydroxyethyl)amino]-5-oxopentanoic acid
CID 43578459

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-(2-hydroxyethyl)-4-(methylamino)butanamide?
The IUPAC name of N-cyclopentyl-N-(2-hydroxyethyl)-4-(methylamino)butanamide (CID 60953691) is N-cyclopentyl-N-(2-hydroxyethyl)-4-(methylamino)butanamide.
What is the SMILES notation for N-cyclopentyl-N-(2-hydroxyethyl)-4-(methylamino)butanamide?
The canonical SMILES for N-cyclopentyl-N-(2-hydroxyethyl)-4-(methylamino)butanamide is CNCCCC(=O)N(CCO)C1CCCC1.
What is the InChIKey of N-cyclopentyl-N-(2-hydroxyethyl)-4-(methylamino)butanamide?
The InChIKey is GQBWGAUZTPAOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-13-8-4-7-12(16)14(9-10-15)11-5-2-3-6-11/h11,13,15H,2-10H2,1H3.
What are the key properties of N-cyclopentyl-N-(2-hydroxyethyl)-4-(methylamino)butanamide?
N-cyclopentyl-N-(2-hydroxyethyl)-4-(methylamino)butanamide has a molecular weight of 228.34 g/mol, XLogP of 0.75, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-(2-hydroxyethyl)-4-(methylamino)butanamide is sourced from PubChem (CID 60953691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).