2-(4-aminophenyl)-N-butyl-N-phenylacetamide;hydrochloride

C18H23ClN2O — CID 119679254

IUPAC2-(4-aminophenyl)-N-butyl-N-phenylacetamide;hydrochloride
SMILESCCCCN(C(=O)Cc1ccc(N)cc1)c1ccccc1.Cl
InChIInChI=1S/C18H22N2O.ClH/c1-2-3-13-20(17-7-5-4-6-8-17)18(21)14-15-9-11-16(19)12-10-15;/h4-12H,2-3,13-14,19H2,1H3;1H
InChIKeyWLYBGQVXIGLWCP-UHFFFAOYSA-N
MW318.85 g/mol
LogP4.07
Rot. Bonds6

About 2-(4-aminophenyl)-N-butyl-N-phenylacetamide;hydrochloride

2-(4-aminophenyl)-N-butyl-N-phenylacetamide;hydrochloride (PubChem CID 119679254) has the molecular formula C18H23ClN2O and a molecular weight of 318.85 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-butyl-N-phenylacetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-butyl-N-phenylacetamide;hydrochloride
PubChem CID119679254
Molecular FormulaC18H23ClN2O
Molecular Weight318.85 g/mol
Exact Mass318.15
IUPAC Name2-(4-aminophenyl)-N-butyl-N-phenylacetamide;hydrochloride
SMILESCCCCN(C(=O)Cc1ccc(N)cc1)c1ccccc1.Cl
InChIInChI=1S/C18H22N2O.ClH/c1-2-3-13-20(17-7-5-4-6-8-17)18(21)14-15-9-11-16(19)12-10-15;/h4-12H,2-3,13-14,19H2,1H3;1H
InChIKeyWLYBGQVXIGLWCP-UHFFFAOYSA-N
XLogP4.07
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.85
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-butyl-N-phenyl-2-(4-sulfanylphenyl)acetamide
CID 107030902
2-(4-aminophenyl)-N,N-dibutylacetamide
CID 28982323
2-(4-aminophenyl)-N-butyl-N-(1-phenylpropyl)acetamide
CID 119783780
3-amino-N-butyl-3-methyl-N-phenylbutanamide
CID 64678131
5-amino-N-butyl-2-fluoro-N-phenylbenzamide
CID 62056959
4-amino-N-butyl-N-phenylpentanamide
CID 64585388
diethyl 2-[2-(N-butylanilino)-2-oxoethyl]propanedioate
CID 135072362
N-butyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-phenylacetamide
CID 112767890
N-(4-aminophenyl)-2-(2-methylphenyl)-N-propylacetamide
CID 63234107
N-[2-[2-(4-aminophenyl)ethyl-methylamino]ethyl]-N-phenylpropanamide
CID 163964765
(4-aminophenyl)-icosylcarbamic acid
CID 57279079
2-[4-(2,3-dioxobutyl)phenyl]-N-(2-hydroxyethyl)-N-phenylacetamide
CID 159346276

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-butyl-N-phenylacetamide;hydrochloride?
The IUPAC name of 2-(4-aminophenyl)-N-butyl-N-phenylacetamide;hydrochloride (CID 119679254) is 2-(4-aminophenyl)-N-butyl-N-phenylacetamide;hydrochloride.
What is the SMILES notation for 2-(4-aminophenyl)-N-butyl-N-phenylacetamide;hydrochloride?
The canonical SMILES for 2-(4-aminophenyl)-N-butyl-N-phenylacetamide;hydrochloride is CCCCN(C(=O)Cc1ccc(N)cc1)c1ccccc1.Cl.
What is the InChIKey of 2-(4-aminophenyl)-N-butyl-N-phenylacetamide;hydrochloride?
The InChIKey is WLYBGQVXIGLWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O.ClH/c1-2-3-13-20(17-7-5-4-6-8-17)18(21)14-15-9-11-16(19)12-10-15;/h4-12H,2-3,13-14,19H2,1H3;1H.
What are the key properties of 2-(4-aminophenyl)-N-butyl-N-phenylacetamide;hydrochloride?
2-(4-aminophenyl)-N-butyl-N-phenylacetamide;hydrochloride has a molecular weight of 318.85 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-butyl-N-phenylacetamide;hydrochloride is sourced from PubChem (CID 119679254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).