N-[[4-[2-(propylideneamino)acetyl]phenyl]methyl]benzamide

C19H20N2O2 — CID 160639288

IUPACN-[[4-[2-(propylideneamino)acetyl]phenyl]methyl]benzamide
SMILESCC/C=N/CC(=O)c1ccc(CNC(=O)c2ccccc2)cc1
InChIInChI=1S/C19H20N2O2/c1-2-12-20-14-18(22)16-10-8-15(9-11-16)13-21-19(23)17-6-4-3-5-7-17/h3-12H,2,13-14H2,1H3,(H,21,23)/b20-12+
InChIKeyRIYNXDFPSPOPJI-UDWIEESQSA-N
MW308.38 g/mol
LogP3.28
Rot. Bonds7

About N-[[4-[2-(propylideneamino)acetyl]phenyl]methyl]benzamide

N-[[4-[2-(propylideneamino)acetyl]phenyl]methyl]benzamide (PubChem CID 160639288) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[[4-[2-(propylideneamino)acetyl]phenyl]methyl]benzamide.

Molecular Properties

Compound NameN-[[4-[2-(propylideneamino)acetyl]phenyl]methyl]benzamide
PubChem CID160639288
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC NameN-[[4-[2-(propylideneamino)acetyl]phenyl]methyl]benzamide
SMILESCC/C=N/CC(=O)c1ccc(CNC(=O)c2ccccc2)cc1
InChIInChI=1S/C19H20N2O2/c1-2-12-20-14-18(22)16-10-8-15(9-11-16)13-21-19(23)17-6-4-3-5-7-17/h3-12H,2,13-14H2,1H3,(H,21,23)/b20-12+
InChIKeyRIYNXDFPSPOPJI-UDWIEESQSA-N
XLogP3.28
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(benzamidomethyl)benzoic acid
CID 10879683
N-[[4-[2-(propan-2-ylamino)acetyl]phenyl]methyl]benzamide
CID 148634937
3-N-[[4-[[[3-(benzylcarbamoyl)benzoyl]amino]methyl]phenyl]methyl]-1-N-ethylbenzene-1,3-dicarboxamide
CID 176788614
2-[4-(benzamidomethyl)phenyl]acetic acid
CID 89464611
N-benzyl-4-(hydroxymethyl)benzamide
CID 4125778
N-benzyl-4-[4-(benzylcarbamoyl)benzoyl]benzamide
CID 20598592
N-[(4-methylphenyl)methyl]-4-phenylbenzamide
CID 1228171
N-benzyl-4-(propylamino)benzamide
CID 62172438
N-[[4-(2-hydroxyethyl)phenyl]methyl]benzamide
CID 67712441
N-benzyl-4-(methylsulfanylmethyl)benzamide
CID 2542193
1-N-benzyl-4-N-(4-ethylphenyl)benzene-1,4-dicarboxamide
CID 109046714
N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 22225397

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(propylideneamino)acetyl]phenyl]methyl]benzamide?
The IUPAC name of N-[[4-[2-(propylideneamino)acetyl]phenyl]methyl]benzamide (CID 160639288) is N-[[4-[2-(propylideneamino)acetyl]phenyl]methyl]benzamide.
What is the SMILES notation for N-[[4-[2-(propylideneamino)acetyl]phenyl]methyl]benzamide?
The canonical SMILES for N-[[4-[2-(propylideneamino)acetyl]phenyl]methyl]benzamide is CC/C=N/CC(=O)c1ccc(CNC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[[4-[2-(propylideneamino)acetyl]phenyl]methyl]benzamide?
The InChIKey is RIYNXDFPSPOPJI-UDWIEESQSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-2-12-20-14-18(22)16-10-8-15(9-11-16)13-21-19(23)17-6-4-3-5-7-17/h3-12H,2,13-14H2,1H3,(H,21,23)/b20-12+.
What are the key properties of N-[[4-[2-(propylideneamino)acetyl]phenyl]methyl]benzamide?
N-[[4-[2-(propylideneamino)acetyl]phenyl]methyl]benzamide has a molecular weight of 308.38 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(propylideneamino)acetyl]phenyl]methyl]benzamide is sourced from PubChem (CID 160639288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).