4-amino-3-ethanimidoyl-N-(1-phenylpropyl)benzamide

C18H21N3O — CID 134567049

IUPAC4-amino-3-ethanimidoyl-N-(1-phenylpropyl)benzamide
SMILES[H]/N=C(\C)c1cc(C(=O)NC(CC)c2ccccc2)ccc1N
InChIInChI=1S/C18H21N3O/c1-3-17(13-7-5-4-6-8-13)21-18(22)14-9-10-16(20)15(11-14)12(2)19/h4-11,17,19H,3,20H2,1-2H3,(H,21,22)/b19-12+
InChIKeyHPLWHJJHDYAMAZ-XDHOZWIPSA-N
MW295.39 g/mol
LogP3.54
Rot. Bonds5

About 4-amino-3-ethanimidoyl-N-(1-phenylpropyl)benzamide

4-amino-3-ethanimidoyl-N-(1-phenylpropyl)benzamide (PubChem CID 134567049) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 4-amino-3-ethanimidoyl-N-(1-phenylpropyl)benzamide.

Molecular Properties

Compound Name4-amino-3-ethanimidoyl-N-(1-phenylpropyl)benzamide
PubChem CID134567049
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name4-amino-3-ethanimidoyl-N-(1-phenylpropyl)benzamide
SMILES[H]/N=C(\C)c1cc(C(=O)NC(CC)c2ccccc2)ccc1N
InChIInChI=1S/C18H21N3O/c1-3-17(13-7-5-4-6-8-13)21-18(22)14-9-10-16(20)15(11-14)12(2)19/h4-11,17,19H,3,20H2,1-2H3,(H,21,22)/b19-12+
InChIKeyHPLWHJJHDYAMAZ-XDHOZWIPSA-N
XLogP3.54
TPSA78.97 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-methyl-N-(1-phenylpropyl)benzamide
CID 62304004
2-amino-5-[[(1S)-3,3-dimethyl-1-phenylbutyl]carbamoyl]benzenecarboximidoyl iodide
CID 134567392
1-N,4-N-bis(1-phenylpropyl)benzene-1,4-dicarboxamide
CID 43912072
3-hydroxy-N-(1-phenylpropyl)benzamide
CID 55057527
N-(1-phenylpropyl)-4-propan-2-ylbenzamide
CID 17327920
4-fluoro-N-[(1S)-1-phenylpropyl]benzamide
CID 781115
methyl 3-(1-phenylpropylcarbamoyl)benzoate
CID 43911594
3,4,5-trifluoro-N-(1-phenylpropyl)benzamide
CID 63189526
3-bromo-5-iodo-N-[(1R)-1-phenylpropyl]benzamide
CID 170766371
4-amino-6-methyl-N-(1-phenylpropyl)pyridine-3-carboxamide
CID 81241004
N-[(1S)-1-(4-bromophenyl)propyl]benzamide
CID 26776311
2-amino-N-[1-(4-chlorophenyl)propyl]benzamide
CID 61214980

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-ethanimidoyl-N-(1-phenylpropyl)benzamide?
The IUPAC name of 4-amino-3-ethanimidoyl-N-(1-phenylpropyl)benzamide (CID 134567049) is 4-amino-3-ethanimidoyl-N-(1-phenylpropyl)benzamide.
What is the SMILES notation for 4-amino-3-ethanimidoyl-N-(1-phenylpropyl)benzamide?
The canonical SMILES for 4-amino-3-ethanimidoyl-N-(1-phenylpropyl)benzamide is [H]/N=C(\C)c1cc(C(=O)NC(CC)c2ccccc2)ccc1N.
What is the InChIKey of 4-amino-3-ethanimidoyl-N-(1-phenylpropyl)benzamide?
The InChIKey is HPLWHJJHDYAMAZ-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H21N3O/c1-3-17(13-7-5-4-6-8-13)21-18(22)14-9-10-16(20)15(11-14)12(2)19/h4-11,17,19H,3,20H2,1-2H3,(H,21,22)/b19-12+.
What are the key properties of 4-amino-3-ethanimidoyl-N-(1-phenylpropyl)benzamide?
4-amino-3-ethanimidoyl-N-(1-phenylpropyl)benzamide has a molecular weight of 295.39 g/mol, XLogP of 3.54, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-ethanimidoyl-N-(1-phenylpropyl)benzamide is sourced from PubChem (CID 134567049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).