4-[[(E)-4-chlorobut-2-enyl]amino]-N-cyclopropylbutanamide

C11H19ClN2O — CID 81429288

IUPAC4-[[(E)-4-chlorobut-2-enyl]amino]-N-cyclopropylbutanamide
SMILESO=C(CCCNC/C=C/CCl)NC1CC1
InChIInChI=1S/C11H19ClN2O/c12-7-1-2-8-13-9-3-4-11(15)14-10-5-6-10/h1-2,10,13H,3-9H2,(H,14,15)/b2-1+
InChIKeyPKDYMIUAIXPKTG-OWOJBTEDSA-N
MW230.74 g/mol
LogP1.43
Rot. Bonds8

About 4-[[(E)-4-chlorobut-2-enyl]amino]-N-cyclopropylbutanamide

4-[[(E)-4-chlorobut-2-enyl]amino]-N-cyclopropylbutanamide (PubChem CID 81429288) has the molecular formula C11H19ClN2O and a molecular weight of 230.74 g/mol. Its IUPAC name is 4-[[(E)-4-chlorobut-2-enyl]amino]-N-cyclopropylbutanamide.

Molecular Properties

Compound Name4-[[(E)-4-chlorobut-2-enyl]amino]-N-cyclopropylbutanamide
PubChem CID81429288
Molecular FormulaC11H19ClN2O
Molecular Weight230.74 g/mol
Exact Mass230.12
IUPAC Name4-[[(E)-4-chlorobut-2-enyl]amino]-N-cyclopropylbutanamide
SMILESO=C(CCCNC/C=C/CCl)NC1CC1
InChIInChI=1S/C11H19ClN2O/c12-7-1-2-8-13-9-3-4-11(15)14-10-5-6-10/h1-2,10,13H,3-9H2,(H,14,15)/b2-1+
InChIKeyPKDYMIUAIXPKTG-OWOJBTEDSA-N
XLogP1.43
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.74
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[[(E)-4-chlorobut-2-enyl]amino]-N-cyclopropylbutanamide 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-[[(E)-4-chlorobut-2-enyl]amino]-N-cyclopropylpropanamide
CID 81429141
4-chloro-N-cyclopropylbutanamide
CID 5152347
N-cyclopropyl-4-(propylamino)butanamide
CID 79394678
4-(cyclobutylmethylamino)-N-cyclopropylbutanamide
CID 79393715
4-[(3-amino-3-oxopropyl)amino]-N-cyclopropylbutanamide
CID 79394455
N,N'-dicyclopropyldecanediamide
CID 4668836
N-cyclopropyl-4-[[3-(methylamino)-3-oxopropyl]amino]butanamide
CID 79394133
N-cyclopropyl-4-[(2-hydroxy-2-methylpropyl)amino]butanamide
CID 79393786
N-cyclopropyl-3-[[3-(cyclopropylamino)-3-oxopropyl]amino]propanamide
CID 79394765
5-chloro-N-cyclooctylpentanamide
CID 28733608
N,N'-dicyclopropylbutanediamide
CID 5225156
4-[[2-(cyclopropylamino)-2-oxoethyl]amino]butanoic acid
CID 43473310

Frequently Asked Questions

What is the IUPAC name of 4-[[(E)-4-chlorobut-2-enyl]amino]-N-cyclopropylbutanamide?
The IUPAC name of 4-[[(E)-4-chlorobut-2-enyl]amino]-N-cyclopropylbutanamide (CID 81429288) is 4-[[(E)-4-chlorobut-2-enyl]amino]-N-cyclopropylbutanamide.
What is the SMILES notation for 4-[[(E)-4-chlorobut-2-enyl]amino]-N-cyclopropylbutanamide?
The canonical SMILES for 4-[[(E)-4-chlorobut-2-enyl]amino]-N-cyclopropylbutanamide is O=C(CCCNC/C=C/CCl)NC1CC1.
What is the InChIKey of 4-[[(E)-4-chlorobut-2-enyl]amino]-N-cyclopropylbutanamide?
The InChIKey is PKDYMIUAIXPKTG-OWOJBTEDSA-N. The full InChI is InChI=1S/C11H19ClN2O/c12-7-1-2-8-13-9-3-4-11(15)14-10-5-6-10/h1-2,10,13H,3-9H2,(H,14,15)/b2-1+.
What are the key properties of 4-[[(E)-4-chlorobut-2-enyl]amino]-N-cyclopropylbutanamide?
4-[[(E)-4-chlorobut-2-enyl]amino]-N-cyclopropylbutanamide has a molecular weight of 230.74 g/mol, XLogP of 1.43, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(E)-4-chlorobut-2-enyl]amino]-N-cyclopropylbutanamide is sourced from PubChem (CID 81429288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).