2-(4-amino-N-propylanilino)-N-phenylacetamide

C17H21N3O — CID 63233780

IUPAC2-(4-amino-N-propylanilino)-N-phenylacetamide
SMILESCCCN(CC(=O)Nc1ccccc1)c1ccc(N)cc1
InChIInChI=1S/C17H21N3O/c1-2-12-20(16-10-8-14(18)9-11-16)13-17(21)19-15-6-4-3-5-7-15/h3-11H,2,12-13,18H2,1H3,(H,19,21)
InChIKeyOBILKCJDOBIDHX-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.12
Rot. Bonds6

About 2-(4-amino-N-propylanilino)-N-phenylacetamide

2-(4-amino-N-propylanilino)-N-phenylacetamide (PubChem CID 63233780) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-(4-amino-N-propylanilino)-N-phenylacetamide.

Molecular Properties

Compound Name2-(4-amino-N-propylanilino)-N-phenylacetamide
PubChem CID63233780
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name2-(4-amino-N-propylanilino)-N-phenylacetamide
SMILESCCCN(CC(=O)Nc1ccccc1)c1ccc(N)cc1
InChIInChI=1S/C17H21N3O/c1-2-12-20(16-10-8-14(18)9-11-16)13-17(21)19-15-6-4-3-5-7-15/h3-11H,2,12-13,18H2,1H3,(H,19,21)
InChIKeyOBILKCJDOBIDHX-UHFFFAOYSA-N
XLogP3.12
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-amino-N-propylanilino)-N-propylacetamide
CID 55174400
N-(4-aminophenyl)-2-[N-(2-cyanoethyl)anilino]acetamide
CID 43824011
aniline;4-N,4-N-dipropylbenzene-1,4-diamine
CID 174806635
2-(4-amino-N-propylanilino)-N-butan-2-ylacetamide
CID 63231608
2-(4-amino-N-ethylanilino)-N-(3-methylphenyl)acetamide
CID 63233755
N-(3-aminophenyl)-2-(N-ethylanilino)acetamide
CID 16790236
N-(4-aminophenyl)-2-[2-hydroxyethyl(propyl)amino]acetamide
CID 61425121
2-(4-amino-N-ethylanilino)-N-(4-chlorophenyl)acetamide
CID 63233662
2-(4-amino-N-propylanilino)-N-(2-methoxyethyl)acetamide
CID 55173821
4-N,4-N-dipropylbenzene-1,4-diamine
CID 10219779
N-(4-aminophenyl)-2-[methyl(2-phenylethyl)amino]acetamide
CID 65482728
N-(4-aminophenyl)-2-[ethyl(methyl)amino]acetamide
CID 43263037

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-N-propylanilino)-N-phenylacetamide?
The IUPAC name of 2-(4-amino-N-propylanilino)-N-phenylacetamide (CID 63233780) is 2-(4-amino-N-propylanilino)-N-phenylacetamide.
What is the SMILES notation for 2-(4-amino-N-propylanilino)-N-phenylacetamide?
The canonical SMILES for 2-(4-amino-N-propylanilino)-N-phenylacetamide is CCCN(CC(=O)Nc1ccccc1)c1ccc(N)cc1.
What is the InChIKey of 2-(4-amino-N-propylanilino)-N-phenylacetamide?
The InChIKey is OBILKCJDOBIDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-2-12-20(16-10-8-14(18)9-11-16)13-17(21)19-15-6-4-3-5-7-15/h3-11H,2,12-13,18H2,1H3,(H,19,21).
What are the key properties of 2-(4-amino-N-propylanilino)-N-phenylacetamide?
2-(4-amino-N-propylanilino)-N-phenylacetamide has a molecular weight of 283.38 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-N-propylanilino)-N-phenylacetamide is sourced from PubChem (CID 63233780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).