4-amino-N-butyl-N-propylbenzamide

C14H22N2O — CID 127119640

IUPAC4-amino-N-butyl-N-propylbenzamide
SMILESCCCCN(CCC)C(=O)c1ccc(N)cc1
InChIInChI=1S/C14H22N2O/c1-3-5-11-16(10-4-2)14(17)12-6-8-13(15)9-7-12/h6-9H,3-5,10-11,15H2,1-2H3
InChIKeyAADJSMAZHXJBMG-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.92
Rot. Bonds6

About 4-amino-N-butyl-N-propylbenzamide

4-amino-N-butyl-N-propylbenzamide (PubChem CID 127119640) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 4-amino-N-butyl-N-propylbenzamide.

Molecular Properties

Compound Name4-amino-N-butyl-N-propylbenzamide
PubChem CID127119640
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name4-amino-N-butyl-N-propylbenzamide
SMILESCCCCN(CCC)C(=O)c1ccc(N)cc1
InChIInChI=1S/C14H22N2O/c1-3-5-11-16(10-4-2)14(17)12-6-8-13(15)9-7-12/h6-9H,3-5,10-11,15H2,1-2H3
InChIKeyAADJSMAZHXJBMG-UHFFFAOYSA-N
XLogP2.92
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N,N-didodecylbenzamide
CID 5077826
4-amino-N-(2-hydroxyethyl)-N-propylbenzamide
CID 60946109
4-amino-N-(2-amino-2-oxoethyl)-N-butylbenzamide;hydrochloride
CID 119733438
4-amino-N-butyl-N-(2,2,2-trifluoroethyl)benzamide
CID 54906063
N-butyl-3,5-dimethyl-N-propylbenzamide
CID 142843547
N,N-dibutyl-4-methoxybenzamide
CID 2163395
N-butyl-3,5-dimethyl-N-propylbenzamide;ethane
CID 142843546
4-N,4-N-dibutyl-1-N-hydroxybenzene-1,4-dicarboxamide
CID 11185445
4-amino-N,N-dibutyl-3-methylbenzamide
CID 28982328
N-butyl-N-decyl-4-ethylbenzamide
CID 91714679
ethane;4-methyl-N,N-dipropylbenzamide
CID 143600655
4-bromo-N,N-dipentylbenzamide
CID 4599077

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-butyl-N-propylbenzamide?
The IUPAC name of 4-amino-N-butyl-N-propylbenzamide (CID 127119640) is 4-amino-N-butyl-N-propylbenzamide.
What is the SMILES notation for 4-amino-N-butyl-N-propylbenzamide?
The canonical SMILES for 4-amino-N-butyl-N-propylbenzamide is CCCCN(CCC)C(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-butyl-N-propylbenzamide?
The InChIKey is AADJSMAZHXJBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-3-5-11-16(10-4-2)14(17)12-6-8-13(15)9-7-12/h6-9H,3-5,10-11,15H2,1-2H3.
What are the key properties of 4-amino-N-butyl-N-propylbenzamide?
4-amino-N-butyl-N-propylbenzamide has a molecular weight of 234.34 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-butyl-N-propylbenzamide is sourced from PubChem (CID 127119640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).