N-(4-amino-2-chlorophenyl)-4-(dipropylamino)butanamide

C16H26ClN3O — CID 16778958

IUPACN-(4-amino-2-chlorophenyl)-4-(dipropylamino)butanamide
SMILESCCCN(CCC)CCCC(=O)Nc1ccc(N)cc1Cl
InChIInChI=1S/C16H26ClN3O/c1-3-9-20(10-4-2)11-5-6-16(21)19-15-8-7-13(18)12-14(15)17/h7-8,12H,3-6,9-11,18H2,1-2H3,(H,19,21)
InChIKeyCJIRCEPKMIKYCN-UHFFFAOYSA-N
MW311.86 g/mol
LogP3.76
Rot. Bonds9

About N-(4-amino-2-chlorophenyl)-4-(dipropylamino)butanamide

N-(4-amino-2-chlorophenyl)-4-(dipropylamino)butanamide (PubChem CID 16778958) has the molecular formula C16H26ClN3O and a molecular weight of 311.86 g/mol. Its IUPAC name is N-(4-amino-2-chlorophenyl)-4-(dipropylamino)butanamide.

Molecular Properties

Compound NameN-(4-amino-2-chlorophenyl)-4-(dipropylamino)butanamide
PubChem CID16778958
Molecular FormulaC16H26ClN3O
Molecular Weight311.86 g/mol
Exact Mass311.18
IUPAC NameN-(4-amino-2-chlorophenyl)-4-(dipropylamino)butanamide
SMILESCCCN(CCC)CCCC(=O)Nc1ccc(N)cc1Cl
InChIInChI=1S/C16H26ClN3O/c1-3-9-20(10-4-2)11-5-6-16(21)19-15-8-7-13(18)12-14(15)17/h7-8,12H,3-6,9-11,18H2,1-2H3,(H,19,21)
InChIKeyCJIRCEPKMIKYCN-UHFFFAOYSA-N
XLogP3.76
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.86
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2-chlorophenyl)-4-[bis(2-hydroxyethyl)amino]butanamide
CID 61245206
N-(4-amino-2-methylphenyl)-4-(dipropylamino)butanamide
CID 16779092
N-(4-amino-2-chlorophenyl)-4-[(2-amino-2-oxoethyl)-ethylamino]butanamide
CID 103101430
N-(5-amino-2-methylphenyl)-4-(dipropylamino)butanamide
CID 16778780
N-(4-amino-2-chlorophenyl)-4-[ethyl(methyl)amino]butanamide
CID 43262963
N-(5-amino-2-methylphenyl)-4-(dipropylamino)butanamide;dihydrochloride
CID 120569210
N-(4-amino-2-chlorophenyl)-2-[cyclopropylmethyl(propyl)amino]acetamide
CID 43588026
N-(4-amino-2-chlorophenyl)-4-hexoxybutanamide
CID 28995617
N-(4-amino-2-chlorophenyl)-3-[ethyl(2-methoxyethyl)amino]propanamide
CID 61443945
4-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylamino]butanoic acid
CID 119134576
N-(4-amino-2-chlorophenyl)-4-methylpentanamide
CID 28776887
N-(2-aminophenyl)-4-[ethyl(propyl)amino]butanamide
CID 43268382

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-chlorophenyl)-4-(dipropylamino)butanamide?
The IUPAC name of N-(4-amino-2-chlorophenyl)-4-(dipropylamino)butanamide (CID 16778958) is N-(4-amino-2-chlorophenyl)-4-(dipropylamino)butanamide.
What is the SMILES notation for N-(4-amino-2-chlorophenyl)-4-(dipropylamino)butanamide?
The canonical SMILES for N-(4-amino-2-chlorophenyl)-4-(dipropylamino)butanamide is CCCN(CCC)CCCC(=O)Nc1ccc(N)cc1Cl.
What is the InChIKey of N-(4-amino-2-chlorophenyl)-4-(dipropylamino)butanamide?
The InChIKey is CJIRCEPKMIKYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN3O/c1-3-9-20(10-4-2)11-5-6-16(21)19-15-8-7-13(18)12-14(15)17/h7-8,12H,3-6,9-11,18H2,1-2H3,(H,19,21).
What are the key properties of N-(4-amino-2-chlorophenyl)-4-(dipropylamino)butanamide?
N-(4-amino-2-chlorophenyl)-4-(dipropylamino)butanamide has a molecular weight of 311.86 g/mol, XLogP of 3.76, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-chlorophenyl)-4-(dipropylamino)butanamide is sourced from PubChem (CID 16778958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).