N-[2-benzamido-2-[2-[formyl(2-phenylethyl)amino]phenyl]propyl]benzamide

C32H31N3O3 — CID 171636472

IUPACN-[2-benzamido-2-[2-[formyl(2-phenylethyl)amino]phenyl]propyl]benzamide
SMILESCC(CNC(=O)c1ccccc1)(NC(=O)c1ccccc1)c1ccccc1N(C=O)CCc1ccccc1
InChIInChI=1S/C32H31N3O3/c1-32(34-31(38)27-17-9-4-10-18-27,23-33-30(37)26-15-7-3-8-16-26)28-19-11-12-20-29(28)35(24-36)22-21-25-13-5-2-6-14-25/h2-20,24H,21-23H2,1H3,(H,33,37)(H,34,38)
InChIKeyYISVKSIVLYRYAL-UHFFFAOYSA-N
MW505.62 g/mol
LogP4.97
Rot. Bonds11

About N-[2-benzamido-2-[2-[formyl(2-phenylethyl)amino]phenyl]propyl]benzamide

N-[2-benzamido-2-[2-[formyl(2-phenylethyl)amino]phenyl]propyl]benzamide (PubChem CID 171636472) has the molecular formula C32H31N3O3 and a molecular weight of 505.62 g/mol. Its IUPAC name is N-[2-benzamido-2-[2-[formyl(2-phenylethyl)amino]phenyl]propyl]benzamide.

Molecular Properties

Compound NameN-[2-benzamido-2-[2-[formyl(2-phenylethyl)amino]phenyl]propyl]benzamide
PubChem CID171636472
Molecular FormulaC32H31N3O3
Molecular Weight505.62 g/mol
Exact Mass505.24
IUPAC NameN-[2-benzamido-2-[2-[formyl(2-phenylethyl)amino]phenyl]propyl]benzamide
SMILESCC(CNC(=O)c1ccccc1)(NC(=O)c1ccccc1)c1ccccc1N(C=O)CCc1ccccc1
InChIInChI=1S/C32H31N3O3/c1-32(34-31(38)27-17-9-4-10-18-27,23-33-30(37)26-15-7-3-8-16-26)28-19-11-12-20-29(28)35(24-36)22-21-25-13-5-2-6-14-25/h2-20,24H,21-23H2,1H3,(H,33,37)(H,34,38)
InChIKeyYISVKSIVLYRYAL-UHFFFAOYSA-N
XLogP4.97
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.62
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[4-(2,2-dimethylpropylcarbamoyl)benzoyl]-(2-phenylethyl)amino]acetic acid
CID 119347218
2-[formyl-[[4-(hydroxycarbamoyl)phenyl]methyl]amino]-N-methyl-N-(2-phenylethyl)benzamide
CID 166970617
4-N-tert-butyl-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide
CID 48846619
N-(2-hydroxy-2,3-dimethylbutyl)benzamide
CID 111484208
N-[(2S)-2-amino-1-oxopropan-2-yl]benzamide
CID 174758628
4-formyl-N-(2-phenylethyl)benzamide
CID 12773386
N-[2-[2-aminoethyl(2-phenylethyl)amino]-2-oxoethyl]benzamide;hydrochloride
CID 120886353
N-ethylbenzamide
CID 160772566
ethane;N-methyl-N-(2-phenylethyl)benzamide
CID 143447769
N-[(E)-3-methyl-5-phenylpent-2-enyl]benzamide
CID 177309069
N-[(3-tert-butylphenyl)methyl]benzamide
CID 58788636
1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633

Frequently Asked Questions

What is the IUPAC name of N-[2-benzamido-2-[2-[formyl(2-phenylethyl)amino]phenyl]propyl]benzamide?
The IUPAC name of N-[2-benzamido-2-[2-[formyl(2-phenylethyl)amino]phenyl]propyl]benzamide (CID 171636472) is N-[2-benzamido-2-[2-[formyl(2-phenylethyl)amino]phenyl]propyl]benzamide.
What is the SMILES notation for N-[2-benzamido-2-[2-[formyl(2-phenylethyl)amino]phenyl]propyl]benzamide?
The canonical SMILES for N-[2-benzamido-2-[2-[formyl(2-phenylethyl)amino]phenyl]propyl]benzamide is CC(CNC(=O)c1ccccc1)(NC(=O)c1ccccc1)c1ccccc1N(C=O)CCc1ccccc1.
What is the InChIKey of N-[2-benzamido-2-[2-[formyl(2-phenylethyl)amino]phenyl]propyl]benzamide?
The InChIKey is YISVKSIVLYRYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31N3O3/c1-32(34-31(38)27-17-9-4-10-18-27,23-33-30(37)26-15-7-3-8-16-26)28-19-11-12-20-29(28)35(24-36)22-21-25-13-5-2-6-14-25/h2-20,24H,21-23H2,1H3,(H,33,37)(H,34,38).
What are the key properties of N-[2-benzamido-2-[2-[formyl(2-phenylethyl)amino]phenyl]propyl]benzamide?
N-[2-benzamido-2-[2-[formyl(2-phenylethyl)amino]phenyl]propyl]benzamide has a molecular weight of 505.62 g/mol, XLogP of 4.97, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-benzamido-2-[2-[formyl(2-phenylethyl)amino]phenyl]propyl]benzamide is sourced from PubChem (CID 171636472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).