2-amino-3-(1-phenylpropylamino)benzamide

C16H19N3O — CID 115545839

IUPAC2-amino-3-(1-phenylpropylamino)benzamide
SMILESCCC(Nc1cccc(C(N)=O)c1N)c1ccccc1
InChIInChI=1S/C16H19N3O/c1-2-13(11-7-4-3-5-8-11)19-14-10-6-9-12(15(14)17)16(18)20/h3-10,13,19H,2,17H2,1H3,(H2,18,20)
InChIKeyFFFOXPKWIOTXKI-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.93
Rot. Bonds5

About 2-amino-3-(1-phenylpropylamino)benzamide

2-amino-3-(1-phenylpropylamino)benzamide (PubChem CID 115545839) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-amino-3-(1-phenylpropylamino)benzamide.

Molecular Properties

Compound Name2-amino-3-(1-phenylpropylamino)benzamide
PubChem CID115545839
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name2-amino-3-(1-phenylpropylamino)benzamide
SMILESCCC(Nc1cccc(C(N)=O)c1N)c1ccccc1
InChIInChI=1S/C16H19N3O/c1-2-13(11-7-4-3-5-8-11)19-14-10-6-9-12(15(14)17)16(18)20/h3-10,13,19H,2,17H2,1H3,(H2,18,20)
InChIKeyFFFOXPKWIOTXKI-UHFFFAOYSA-N
XLogP2.93
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-(1-phenylethylamino)benzamide
CID 113332401
ethyl 2-(1-phenylpropylamino)benzoate
CID 43322187
2-amino-3-(pentan-2-ylamino)benzamide
CID 115544249
3-amino-2-(1-phenylpropylamino)benzoic acid
CID 115934821
3-(1-phenylpropylamino)-2-sulfobenzoic acid
CID 56614931
2-amino-3-(2-ethylanilino)benzamide
CID 113332482
methyl 2-amino-3-(1-phenylethylamino)benzoate
CID 115544214
2-amino-3-[5-(diethylamino)pentan-2-ylamino]benzamide
CID 115544390
2-hydroxy-3-[[2-methyl-3,6-dioxo-5-[[(1R)-1-phenylpropyl]amino]-1H-pyridazin-4-yl]amino]benzamide
CID 59996654
2-amino-3-(hexan-3-ylamino)benzoic acid
CID 115545796
2-amino-3-[1-(5-methylthiophen-2-yl)propan-2-ylamino]benzamide
CID 115546311
5-amino-6-(1-phenylpropylamino)pyridine-2-carboxamide
CID 114406353

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(1-phenylpropylamino)benzamide?
The IUPAC name of 2-amino-3-(1-phenylpropylamino)benzamide (CID 115545839) is 2-amino-3-(1-phenylpropylamino)benzamide.
What is the SMILES notation for 2-amino-3-(1-phenylpropylamino)benzamide?
The canonical SMILES for 2-amino-3-(1-phenylpropylamino)benzamide is CCC(Nc1cccc(C(N)=O)c1N)c1ccccc1.
What is the InChIKey of 2-amino-3-(1-phenylpropylamino)benzamide?
The InChIKey is FFFOXPKWIOTXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-2-13(11-7-4-3-5-8-11)19-14-10-6-9-12(15(14)17)16(18)20/h3-10,13,19H,2,17H2,1H3,(H2,18,20).
What are the key properties of 2-amino-3-(1-phenylpropylamino)benzamide?
2-amino-3-(1-phenylpropylamino)benzamide has a molecular weight of 269.35 g/mol, XLogP of 2.93, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(1-phenylpropylamino)benzamide is sourced from PubChem (CID 115545839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).