N-(2-amino-1-cyclopropylethyl)-4-(2-chlorophenoxy)butanamide

C15H21ClN2O2 — CID 119617753

IUPACN-(2-amino-1-cyclopropylethyl)-4-(2-chlorophenoxy)butanamide
SMILESNCC(NC(=O)CCCOc1ccccc1Cl)C1CC1
InChIInChI=1S/C15H21ClN2O2/c16-12-4-1-2-5-14(12)20-9-3-6-15(19)18-13(10-17)11-7-8-11/h1-2,4-5,11,13H,3,6-10,17H2,(H,18,19)
InChIKeyOGODHFUTCUCZMF-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.35
Rot. Bonds8

About N-(2-amino-1-cyclopropylethyl)-4-(2-chlorophenoxy)butanamide

N-(2-amino-1-cyclopropylethyl)-4-(2-chlorophenoxy)butanamide (PubChem CID 119617753) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-4-(2-chlorophenoxy)butanamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-4-(2-chlorophenoxy)butanamide
PubChem CID119617753
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC NameN-(2-amino-1-cyclopropylethyl)-4-(2-chlorophenoxy)butanamide
SMILESNCC(NC(=O)CCCOc1ccccc1Cl)C1CC1
InChIInChI=1S/C15H21ClN2O2/c16-12-4-1-2-5-14(12)20-9-3-6-15(19)18-13(10-17)11-7-8-11/h1-2,4-5,11,13H,3,6-10,17H2,(H,18,19)
InChIKeyOGODHFUTCUCZMF-UHFFFAOYSA-N
XLogP2.35
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-amino-1-cyclopropylethyl)-4-(2-chlorophenoxy)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

N-(2-amino-1-cyclopropylethyl)-4-(2-methylphenoxy)butanamide
CID 119617616
N-(2-amino-1-cyclopropylethyl)-3-(2-fluorophenoxy)propanamide;hydrochloride
CID 119614047
N-(1-amino-4-methylpentan-2-yl)-4-(2-chlorophenoxy)butanamide;hydrochloride
CID 119588775
N-(2-amino-1-cyclopropylethyl)-3-(2-bromo-4-chlorophenoxy)propanamide;hydrochloride
CID 119613712
N-(2-amino-1-cyclopropylethyl)-4-phenylbutanamide
CID 65189008
N-(2-amino-1-cyclopropylethyl)-4-(3-fluorophenoxy)butanamide
CID 119616655
N-(1-aminohexan-2-yl)-4-(2-chlorophenoxy)butanamide;hydrochloride
CID 119668746
N-(2-amino-1-cyclopropylethyl)-4-(3-fluorophenoxy)butanamide;hydrochloride
CID 119616654
N-(2-amino-1-cyclopropylethyl)-4-(3,4-dimethylphenoxy)butanamide
CID 119617914
4-(2-chlorophenoxy)-N-[(2S)-1-methoxypropan-2-yl]butanamide
CID 94821455
N-(2-amino-1-cyclopropylethyl)-2-chlorobenzamide
CID 65188374
2-[4-(2-chlorophenoxy)butanoylamino]butanoic acid
CID 119223409

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-4-(2-chlorophenoxy)butanamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-4-(2-chlorophenoxy)butanamide (CID 119617753) is N-(2-amino-1-cyclopropylethyl)-4-(2-chlorophenoxy)butanamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-4-(2-chlorophenoxy)butanamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-4-(2-chlorophenoxy)butanamide is NCC(NC(=O)CCCOc1ccccc1Cl)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-4-(2-chlorophenoxy)butanamide?
The InChIKey is OGODHFUTCUCZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c16-12-4-1-2-5-14(12)20-9-3-6-15(19)18-13(10-17)11-7-8-11/h1-2,4-5,11,13H,3,6-10,17H2,(H,18,19).
What are the key properties of N-(2-amino-1-cyclopropylethyl)-4-(2-chlorophenoxy)butanamide?
N-(2-amino-1-cyclopropylethyl)-4-(2-chlorophenoxy)butanamide has a molecular weight of 296.80 g/mol, XLogP of 2.35, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-4-(2-chlorophenoxy)butanamide is sourced from PubChem (CID 119617753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).