4-[1-(4-chlorophenyl)butylamino]-N-cyclopropylbutanamide

C17H25ClN2O — CID 79377021

IUPAC4-[1-(4-chlorophenyl)butylamino]-N-cyclopropylbutanamide
SMILESCCCC(NCCCC(=O)NC1CC1)c1ccc(Cl)cc1
InChIInChI=1S/C17H25ClN2O/c1-2-4-16(13-6-8-14(18)9-7-13)19-12-3-5-17(21)20-15-10-11-15/h6-9,15-16,19H,2-5,10-12H2,1H3,(H,20,21)
InChIKeyFHMNGXBIUOFARZ-UHFFFAOYSA-N
MW308.85 g/mol
LogP3.83
Rot. Bonds9

About 4-[1-(4-chlorophenyl)butylamino]-N-cyclopropylbutanamide

4-[1-(4-chlorophenyl)butylamino]-N-cyclopropylbutanamide (PubChem CID 79377021) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is 4-[1-(4-chlorophenyl)butylamino]-N-cyclopropylbutanamide.

Molecular Properties

Compound Name4-[1-(4-chlorophenyl)butylamino]-N-cyclopropylbutanamide
PubChem CID79377021
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC Name4-[1-(4-chlorophenyl)butylamino]-N-cyclopropylbutanamide
SMILESCCCC(NCCCC(=O)NC1CC1)c1ccc(Cl)cc1
InChIInChI=1S/C17H25ClN2O/c1-2-4-16(13-6-8-14(18)9-7-13)19-12-3-5-17(21)20-15-10-11-15/h6-9,15-16,19H,2-5,10-12H2,1H3,(H,20,21)
InChIKeyFHMNGXBIUOFARZ-UHFFFAOYSA-N
XLogP3.83
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[1-(4-chlorophenyl)butylamino]butanamide
CID 60863570
N-cyclopropyl-4-(1-phenylpropylamino)butanamide
CID 79394506
1-(4-chlorophenyl)-N-(2-cyclopentylethyl)butan-1-amine
CID 63450134
N'-[1-(4-chlorophenyl)butyl]ethane-1,2-diamine
CID 60888732
N-cyclopropyl-4-(hexan-2-ylamino)butanamide
CID 79394095
N-[3-[1-(4-chlorophenyl)butylamino]propyl]methanesulfonamide
CID 103776590
N-cyclopropyl-4-(1-cyclopropylethylamino)butanamide
CID 79394178
N-[1-(4-chlorophenyl)butyl]-N',N'-diethylpropane-1,3-diamine
CID 43102215
N-cyclopropyl-4-[1-(3,5-dihydroxyphenyl)ethylamino]butanamide
CID 107706794
2-[1-(4-chlorophenyl)propylamino]-N-cyclopropylpropanamide
CID 115576766
N-cyclopropyl-4-(nonan-2-ylamino)butanamide
CID 79394259
1-(4-chlorophenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]butan-1-amine
CID 63454919

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-chlorophenyl)butylamino]-N-cyclopropylbutanamide?
The IUPAC name of 4-[1-(4-chlorophenyl)butylamino]-N-cyclopropylbutanamide (CID 79377021) is 4-[1-(4-chlorophenyl)butylamino]-N-cyclopropylbutanamide.
What is the SMILES notation for 4-[1-(4-chlorophenyl)butylamino]-N-cyclopropylbutanamide?
The canonical SMILES for 4-[1-(4-chlorophenyl)butylamino]-N-cyclopropylbutanamide is CCCC(NCCCC(=O)NC1CC1)c1ccc(Cl)cc1.
What is the InChIKey of 4-[1-(4-chlorophenyl)butylamino]-N-cyclopropylbutanamide?
The InChIKey is FHMNGXBIUOFARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O/c1-2-4-16(13-6-8-14(18)9-7-13)19-12-3-5-17(21)20-15-10-11-15/h6-9,15-16,19H,2-5,10-12H2,1H3,(H,20,21).
What are the key properties of 4-[1-(4-chlorophenyl)butylamino]-N-cyclopropylbutanamide?
4-[1-(4-chlorophenyl)butylamino]-N-cyclopropylbutanamide has a molecular weight of 308.85 g/mol, XLogP of 3.83, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-chlorophenyl)butylamino]-N-cyclopropylbutanamide is sourced from PubChem (CID 79377021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).