2-[(2-phenylcyclopropyl)amino]butanamide

C13H18N2O — CID 62901755

IUPAC2-[(2-phenylcyclopropyl)amino]butanamide
SMILESCCC(NC1CC1c1ccccc1)C(N)=O
InChIInChI=1S/C13H18N2O/c1-2-11(13(14)16)15-12-8-10(12)9-6-4-3-5-7-9/h3-7,10-12,15H,2,8H2,1H3,(H2,14,16)
InChIKeyIJTHGDCFLUJDCM-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.40
Rot. Bonds5

About 2-[(2-phenylcyclopropyl)amino]butanamide

2-[(2-phenylcyclopropyl)amino]butanamide (PubChem CID 62901755) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-[(2-phenylcyclopropyl)amino]butanamide.

Molecular Properties

Compound Name2-[(2-phenylcyclopropyl)amino]butanamide
PubChem CID62901755
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name2-[(2-phenylcyclopropyl)amino]butanamide
SMILESCCC(NC1CC1c1ccccc1)C(N)=O
InChIInChI=1S/C13H18N2O/c1-2-11(13(14)16)15-12-8-10(12)9-6-4-3-5-7-9/h3-7,10-12,15H,2,8H2,1H3,(H2,14,16)
InChIKeyIJTHGDCFLUJDCM-UHFFFAOYSA-N
XLogP1.40
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[(2-phenylcyclopropyl)amino]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

(1R)-N-[(2S)-1-amino-1-oxobutan-2-yl]-2-phenylcyclopropane-1-carboxamide
CID 58155377
N'-hydroxy-3-[(2-phenylcyclopropyl)amino]pentanimidamide
CID 77031419
(2S)-2-(benzylamino)butanamide
CID 131998527
2-amino-3-methyl-N-(2-phenylcyclopropyl)pentanamide;hydrochloride
CID 119709457
(1R)-N-[(2S)-1-amino-1-oxobutan-2-yl]-2-phenylcyclopropane-1-carboxamide;(2S)-2-(chloroamino)butanamide;dichloromethane;N,N-diethylethanamine;(1R)-2-phenylcyclopropane-1-carbonyl chloride
CID 158895196
(2S)-2-amino-N-(2-phenylcyclopropyl)propanamide
CID 78977151
4-[1-[[(1R,2S)-2-phenylcyclopropyl]amino]ethyl]piperidine-1-carboxylic acid
CID 174804524
1-(1-hydroxybutan-2-yl)-3-(2-phenylcyclopropyl)urea
CID 47764323
N-[(1R,2R)-2-phenylcyclopropyl]acetamide
CID 6954168
2-phenyl-N-(1-phenylbutyl)cyclopropan-1-amine
CID 63454721
(2R)-2-[(2-phenylcyclopropyl)carbamoylamino]pentanoic acid
CID 107566679
2-amino-N-[(1S,2R)-2-phenylcyclopropyl]hexanamide
CID 131862373

Frequently Asked Questions

What is the IUPAC name of 2-[(2-phenylcyclopropyl)amino]butanamide?
The IUPAC name of 2-[(2-phenylcyclopropyl)amino]butanamide (CID 62901755) is 2-[(2-phenylcyclopropyl)amino]butanamide.
What is the SMILES notation for 2-[(2-phenylcyclopropyl)amino]butanamide?
The canonical SMILES for 2-[(2-phenylcyclopropyl)amino]butanamide is CCC(NC1CC1c1ccccc1)C(N)=O.
What is the InChIKey of 2-[(2-phenylcyclopropyl)amino]butanamide?
The InChIKey is IJTHGDCFLUJDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-2-11(13(14)16)15-12-8-10(12)9-6-4-3-5-7-9/h3-7,10-12,15H,2,8H2,1H3,(H2,14,16).
What are the key properties of 2-[(2-phenylcyclopropyl)amino]butanamide?
2-[(2-phenylcyclopropyl)amino]butanamide has a molecular weight of 218.30 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-phenylcyclopropyl)amino]butanamide is sourced from PubChem (CID 62901755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).