3-(3-chlorophenyl)-N-[3-(dimethylamino)propyl]butanamide

C15H23ClN2O — CID 110676592

IUPAC3-(3-chlorophenyl)-N-[3-(dimethylamino)propyl]butanamide
SMILESCC(CC(=O)NCCCN(C)C)c1cccc(Cl)c1
InChIInChI=1S/C15H23ClN2O/c1-12(13-6-4-7-14(16)11-13)10-15(19)17-8-5-9-18(2)3/h4,6-7,11-12H,5,8-10H2,1-3H3,(H,17,19)
InChIKeyWIBQGYJCYHMICD-UHFFFAOYSA-N
MW282.81 g/mol
LogP2.90
Rot. Bonds7

About 3-(3-chlorophenyl)-N-[3-(dimethylamino)propyl]butanamide

3-(3-chlorophenyl)-N-[3-(dimethylamino)propyl]butanamide (PubChem CID 110676592) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-[3-(dimethylamino)propyl]butanamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-[3-(dimethylamino)propyl]butanamide
PubChem CID110676592
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name3-(3-chlorophenyl)-N-[3-(dimethylamino)propyl]butanamide
SMILESCC(CC(=O)NCCCN(C)C)c1cccc(Cl)c1
InChIInChI=1S/C15H23ClN2O/c1-12(13-6-4-7-14(16)11-13)10-15(19)17-8-5-9-18(2)3/h4,6-7,11-12H,5,8-10H2,1-3H3,(H,17,19)
InChIKeyWIBQGYJCYHMICD-UHFFFAOYSA-N
XLogP2.90
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3-chlorophenyl)butanoic acid
CID 71683749
N-butyl-3-(3-chlorophenyl)-3-cyanopropanamide
CID 112511723
N-(3-chloro-4-methylphenyl)-N'-[3-(dimethylamino)propyl]-3-phenylpentanediamide
CID 142061710
(3S)-3-(4-chlorophenyl)-N-[3-(dimethylamino)propyl]-4-pyrrol-1-ylbutanamide
CID 124880062
4-amino-3-[1-(3-chlorophenyl)ethyl-methylamino]-N-propylbutanamide
CID 66428887
2-(3-chlorophenyl)-2-[2-(dimethylamino)ethylamino]acetic acid
CID 54895368
N-[(1R)-1-(3-chlorophenyl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 30071409
3-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]butanamide
CID 113420011
2-(3-chlorophenyl)-2-[2-(dimethylamino)ethylamino]acetamide
CID 60996063
N-[3-[4-(dimethylamino)phenyl]propyl]-3-(3-fluorophenyl)butanamide
CID 86961979
1-[(E)-2-(3-chlorophenyl)ethenyl]-3-[3-(dimethylamino)propyl]urea
CID 108906605
3-(4-aminophenyl)-N-(5-hydroxypentyl)butanamide
CID 107317608

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-[3-(dimethylamino)propyl]butanamide?
The IUPAC name of 3-(3-chlorophenyl)-N-[3-(dimethylamino)propyl]butanamide (CID 110676592) is 3-(3-chlorophenyl)-N-[3-(dimethylamino)propyl]butanamide.
What is the SMILES notation for 3-(3-chlorophenyl)-N-[3-(dimethylamino)propyl]butanamide?
The canonical SMILES for 3-(3-chlorophenyl)-N-[3-(dimethylamino)propyl]butanamide is CC(CC(=O)NCCCN(C)C)c1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)-N-[3-(dimethylamino)propyl]butanamide?
The InChIKey is WIBQGYJCYHMICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-12(13-6-4-7-14(16)11-13)10-15(19)17-8-5-9-18(2)3/h4,6-7,11-12H,5,8-10H2,1-3H3,(H,17,19).
What are the key properties of 3-(3-chlorophenyl)-N-[3-(dimethylamino)propyl]butanamide?
3-(3-chlorophenyl)-N-[3-(dimethylamino)propyl]butanamide has a molecular weight of 282.81 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-[3-(dimethylamino)propyl]butanamide is sourced from PubChem (CID 110676592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).