N-[3-(4-chlorophenyl)propyl]-4-(methylamino)butanamide

C14H21ClN2O — CID 119764682

IUPACN-[3-(4-chlorophenyl)propyl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)NCCCc1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2O/c1-16-10-3-5-14(18)17-11-2-4-12-6-8-13(15)9-7-12/h6-9,16H,2-5,10-11H2,1H3,(H,17,18)
InChIKeyBCQGLNSHYYAWOA-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.39
Rot. Bonds8

About N-[3-(4-chlorophenyl)propyl]-4-(methylamino)butanamide

N-[3-(4-chlorophenyl)propyl]-4-(methylamino)butanamide (PubChem CID 119764682) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)propyl]-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)propyl]-4-(methylamino)butanamide
PubChem CID119764682
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC NameN-[3-(4-chlorophenyl)propyl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)NCCCc1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2O/c1-16-10-3-5-14(18)17-11-2-4-12-6-8-13(15)9-7-12/h6-9,16H,2-5,10-11H2,1H3,(H,17,18)
InChIKeyBCQGLNSHYYAWOA-UHFFFAOYSA-N
XLogP2.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.39
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-(4-chlorophenyl)-N-[3-(methylamino)propyl]butanamide
CID 174351347
N-[2-(4-chlorophenyl)ethyl]-4-(methylamino)butanamide
CID 61259854
N-butyl-4-(4-chlorophenyl)butanamide
CID 110297621
4-chloro-N-[2-[4-(methylamino)butanoylamino]ethyl]benzamide;hydrochloride
CID 119703400
6-[4-(4-chlorophenyl)butanoylamino]hexanoic acid
CID 94966413
4-(3,4-dichlorophenyl)-N-[3-(methylamino)propyl]butanamide;hydrochloride
CID 119432244
N-[3-(4-chlorophenyl)propyl]-2-(4-methylphenyl)acetamide
CID 38019898
tert-butyl N-[4-[2-(4-chlorophenyl)ethylamino]-4-oxobutyl]carbamate
CID 9211021
N-[2-(4-fluorophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119675755
4-chloro-N-[4-[2-(4-methoxyphenyl)ethylamino]-4-oxobutyl]benzamide
CID 17432466
4-(4-chlorophenyl)-N-[3-(methylamino)propyl]-4-oxobutanamide;hydrochloride
CID 119432701
N-[2-(4-chlorophenyl)ethyl]butanamide
CID 60628099

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)propyl]-4-(methylamino)butanamide?
The IUPAC name of N-[3-(4-chlorophenyl)propyl]-4-(methylamino)butanamide (CID 119764682) is N-[3-(4-chlorophenyl)propyl]-4-(methylamino)butanamide.
What is the SMILES notation for N-[3-(4-chlorophenyl)propyl]-4-(methylamino)butanamide?
The canonical SMILES for N-[3-(4-chlorophenyl)propyl]-4-(methylamino)butanamide is CNCCCC(=O)NCCCc1ccc(Cl)cc1.
What is the InChIKey of N-[3-(4-chlorophenyl)propyl]-4-(methylamino)butanamide?
The InChIKey is BCQGLNSHYYAWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-16-10-3-5-14(18)17-11-2-4-12-6-8-13(15)9-7-12/h6-9,16H,2-5,10-11H2,1H3,(H,17,18).
What are the key properties of N-[3-(4-chlorophenyl)propyl]-4-(methylamino)butanamide?
N-[3-(4-chlorophenyl)propyl]-4-(methylamino)butanamide has a molecular weight of 268.79 g/mol, XLogP of 2.39, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenyl)propyl]-4-(methylamino)butanamide is sourced from PubChem (CID 119764682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).