2-(4-aminophenyl)-N-butyl-N-(1-phenylpropyl)acetamide

C21H28N2O — CID 119783780

IUPAC2-(4-aminophenyl)-N-butyl-N-(1-phenylpropyl)acetamide
SMILESCCCCN(C(=O)Cc1ccc(N)cc1)C(CC)c1ccccc1
InChIInChI=1S/C21H28N2O/c1-3-5-15-23(20(4-2)18-9-7-6-8-10-18)21(24)16-17-11-13-19(22)14-12-17/h6-14,20H,3-5,15-16,22H2,1-2H3
InChIKeyFPAZIPXXYAVJLO-UHFFFAOYSA-N
MW324.47 g/mol
LogP4.59
Rot. Bonds8

About 2-(4-aminophenyl)-N-butyl-N-(1-phenylpropyl)acetamide

2-(4-aminophenyl)-N-butyl-N-(1-phenylpropyl)acetamide (PubChem CID 119783780) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-butyl-N-(1-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-butyl-N-(1-phenylpropyl)acetamide
PubChem CID119783780
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC Name2-(4-aminophenyl)-N-butyl-N-(1-phenylpropyl)acetamide
SMILESCCCCN(C(=O)Cc1ccc(N)cc1)C(CC)c1ccccc1
InChIInChI=1S/C21H28N2O/c1-3-5-15-23(20(4-2)18-9-7-6-8-10-18)21(24)16-17-11-13-19(22)14-12-17/h6-14,20H,3-5,15-16,22H2,1-2H3
InChIKeyFPAZIPXXYAVJLO-UHFFFAOYSA-N
XLogP4.59
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 54.59
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

4-amino-N-butyl-N-(1-phenylpropyl)butanamide
CID 119323712
2-(4-aminophenyl)-N-butyl-N-phenylacetamide;hydrochloride
CID 119679254
2-(4-aminophenyl)-N,N-dibutylacetamide
CID 28982323
(2S)-N-butyl-2-methylsulfonyl-N-[(1R)-1-phenylpropyl]propanamide
CID 95627859
2-amino-N-butan-2-yl-N-butyl-2-phenylacetamide
CID 54870822
2-(4-aminophenyl)-N-methyl-N-[(1S)-2-methyl-1-phenylpropyl]acetamide
CID 99703947
2-(4-aminophenyl)-N-butan-2-yl-N-(2-methoxyethyl)acetamide
CID 55001222
2-(4-aminophenyl)-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide;hydrochloride
CID 10452010
3-(2-aminophenyl)-N-butyl-N-(1-phenylethyl)propanamide;hydrochloride
CID 120611121
N-butyl-2-[[2-(4-chlorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]-2-phenylacetamide
CID 133237738
3-[1-phenylpropyl(propyl)amino]propanoic acid
CID 119135012
2-(4-aminophenyl)-N-ethyl-N-(1-ethylsulfonylpropan-2-yl)acetamide
CID 119786192

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-butyl-N-(1-phenylpropyl)acetamide?
The IUPAC name of 2-(4-aminophenyl)-N-butyl-N-(1-phenylpropyl)acetamide (CID 119783780) is 2-(4-aminophenyl)-N-butyl-N-(1-phenylpropyl)acetamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-butyl-N-(1-phenylpropyl)acetamide?
The canonical SMILES for 2-(4-aminophenyl)-N-butyl-N-(1-phenylpropyl)acetamide is CCCCN(C(=O)Cc1ccc(N)cc1)C(CC)c1ccccc1.
What is the InChIKey of 2-(4-aminophenyl)-N-butyl-N-(1-phenylpropyl)acetamide?
The InChIKey is FPAZIPXXYAVJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O/c1-3-5-15-23(20(4-2)18-9-7-6-8-10-18)21(24)16-17-11-13-19(22)14-12-17/h6-14,20H,3-5,15-16,22H2,1-2H3.
What are the key properties of 2-(4-aminophenyl)-N-butyl-N-(1-phenylpropyl)acetamide?
2-(4-aminophenyl)-N-butyl-N-(1-phenylpropyl)acetamide has a molecular weight of 324.47 g/mol, XLogP of 4.59, 8 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-(1-phenylpropyl)acetamide is sourced from PubChem (CID 119783780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).