N'-benzyl-2-phenylpropanediamide

C16H16N2O2 — CID 57080466

IUPACN'-benzyl-2-phenylpropanediamide
SMILESNC(=O)C(C(=O)NCc1ccccc1)c1ccccc1
InChIInChI=1S/C16H16N2O2/c17-15(19)14(13-9-5-2-6-10-13)16(20)18-11-12-7-3-1-4-8-12/h1-10,14H,11H2,(H2,17,19)(H,18,20)
InChIKeyFSKVPVHYIFPWPT-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.57
Rot. Bonds5

About N'-benzyl-2-phenylpropanediamide

N'-benzyl-2-phenylpropanediamide (PubChem CID 57080466) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is N'-benzyl-2-phenylpropanediamide.

Molecular Properties

Compound NameN'-benzyl-2-phenylpropanediamide
PubChem CID57080466
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC NameN'-benzyl-2-phenylpropanediamide
SMILESNC(=O)C(C(=O)NCc1ccccc1)c1ccccc1
InChIInChI=1S/C16H16N2O2/c17-15(19)14(13-9-5-2-6-10-13)16(20)18-11-12-7-3-1-4-8-12/h1-10,14H,11H2,(H2,17,19)(H,18,20)
InChIKeyFSKVPVHYIFPWPT-UHFFFAOYSA-N
XLogP1.57
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[[(1R)-2-amino-2-oxo-1-phenylethyl]amino]-N-benzylpropanamide
CID 95582096
N'-butyl-2-phenylpropanediamide
CID 70180418
3-amino-N-[(3-bromophenyl)methyl]-2-phenyl-3-sulfanylidenepropanamide
CID 62877573
(2S,3R)-N-benzyl-2,3-dihydroxy-3-phenylpropanamide
CID 71048663
N-benzyl-2-(benzylamino)-2-phenylacetamide
CID 3577871
benzene;benzylurea;hydrazine
CID 68793593
methyl (2S,3R)-4-(benzylamino)-4-oxo-2,3-bis(trimethylsilyl)butanoate
CID 10546821
N-benzyl-2-methylpropanamide;methane
CID 160760567
(2S,3S)-3-amino-N-benzyl-2-hydroxybutanamide
CID 71428233
(2S)-2-amino-N-benzyl-3-methylbutanamide
CID 11063601
2,3-diamino-N-benzylbutanamide
CID 143155055
2-amino-N-benzyl-3-methylbutanamide
CID 14404632

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-2-phenylpropanediamide?
The IUPAC name of N'-benzyl-2-phenylpropanediamide (CID 57080466) is N'-benzyl-2-phenylpropanediamide.
What is the SMILES notation for N'-benzyl-2-phenylpropanediamide?
The canonical SMILES for N'-benzyl-2-phenylpropanediamide is NC(=O)C(C(=O)NCc1ccccc1)c1ccccc1.
What is the InChIKey of N'-benzyl-2-phenylpropanediamide?
The InChIKey is FSKVPVHYIFPWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c17-15(19)14(13-9-5-2-6-10-13)16(20)18-11-12-7-3-1-4-8-12/h1-10,14H,11H2,(H2,17,19)(H,18,20).
What are the key properties of N'-benzyl-2-phenylpropanediamide?
N'-benzyl-2-phenylpropanediamide has a molecular weight of 268.32 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-2-phenylpropanediamide is sourced from PubChem (CID 57080466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).