4-[[2-(naphthalen-2-ylamino)acetyl]amino]-N-(1-phenylethyl)benzamide

C27H25N3O2 — CID 54839780

IUPAC4-[[2-(naphthalen-2-ylamino)acetyl]amino]-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1ccc(NC(=O)CNc2ccc3ccccc3c2)cc1)c1ccccc1
InChIInChI=1S/C27H25N3O2/c1-19(20-7-3-2-4-8-20)29-27(32)22-12-14-24(15-13-22)30-26(31)18-28-25-16-11-21-9-5-6-10-23(21)17-25/h2-17,19,28H,18H2,1H3,(H,29,32)(H,30,31)
InChIKeyLRXCHSYMALSVJO-UHFFFAOYSA-N
MW423.52 g/mol
LogP5.38
Rot. Bonds7

About 4-[[2-(naphthalen-2-ylamino)acetyl]amino]-N-(1-phenylethyl)benzamide

4-[[2-(naphthalen-2-ylamino)acetyl]amino]-N-(1-phenylethyl)benzamide (PubChem CID 54839780) has the molecular formula C27H25N3O2 and a molecular weight of 423.52 g/mol. Its IUPAC name is 4-[[2-(naphthalen-2-ylamino)acetyl]amino]-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name4-[[2-(naphthalen-2-ylamino)acetyl]amino]-N-(1-phenylethyl)benzamide
PubChem CID54839780
Molecular FormulaC27H25N3O2
Molecular Weight423.52 g/mol
Exact Mass423.19
IUPAC Name4-[[2-(naphthalen-2-ylamino)acetyl]amino]-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1ccc(NC(=O)CNc2ccc3ccccc3c2)cc1)c1ccccc1
InChIInChI=1S/C27H25N3O2/c1-19(20-7-3-2-4-8-20)29-27(32)22-12-14-24(15-13-22)30-26(31)18-28-25-16-11-21-9-5-6-10-23(21)17-25/h2-17,19,28H,18H2,1H3,(H,29,32)(H,30,31)
InChIKeyLRXCHSYMALSVJO-UHFFFAOYSA-N
XLogP5.38
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.52
LogP ≤ 55.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[[2-(naphthalen-2-ylamino)acetyl]amino]-N-(1-phenylethyl)benzamide with MolForge

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Related Compounds

4-[[2-(3,4-dichloroanilino)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54813173
4-[[2-(4-fluoroanilino)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54813381
4-[[2-[3-(2-phenoxyethoxy)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54825206
4-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
CID 54846371
4-[[2-oxo-2-(3-propan-2-yloxyanilino)ethyl]amino]-N-(1-phenylethyl)benzamide
CID 54846203
4-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]amino]-N-(1-phenylethyl)benzamide
CID 54846404
4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(1-phenylethyl)benzamide
CID 54846054
3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54846365
4-[[2-[4-[methyl(phenyl)carbamoyl]anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54838229
N-methyl-4-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]benzamide
CID 54846158
4-[[2-[3-(2,2-dimethylpropanoylamino)anilino]-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
CID 54846408
4-[[2-[4-[acetyl(methyl)amino]anilino]-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
CID 54846430

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(naphthalen-2-ylamino)acetyl]amino]-N-(1-phenylethyl)benzamide?
The IUPAC name of 4-[[2-(naphthalen-2-ylamino)acetyl]amino]-N-(1-phenylethyl)benzamide (CID 54839780) is 4-[[2-(naphthalen-2-ylamino)acetyl]amino]-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 4-[[2-(naphthalen-2-ylamino)acetyl]amino]-N-(1-phenylethyl)benzamide?
The canonical SMILES for 4-[[2-(naphthalen-2-ylamino)acetyl]amino]-N-(1-phenylethyl)benzamide is CC(NC(=O)c1ccc(NC(=O)CNc2ccc3ccccc3c2)cc1)c1ccccc1.
What is the InChIKey of 4-[[2-(naphthalen-2-ylamino)acetyl]amino]-N-(1-phenylethyl)benzamide?
The InChIKey is LRXCHSYMALSVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O2/c1-19(20-7-3-2-4-8-20)29-27(32)22-12-14-24(15-13-22)30-26(31)18-28-25-16-11-21-9-5-6-10-23(21)17-25/h2-17,19,28H,18H2,1H3,(H,29,32)(H,30,31).
What are the key properties of 4-[[2-(naphthalen-2-ylamino)acetyl]amino]-N-(1-phenylethyl)benzamide?
4-[[2-(naphthalen-2-ylamino)acetyl]amino]-N-(1-phenylethyl)benzamide has a molecular weight of 423.52 g/mol, XLogP of 5.38, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(naphthalen-2-ylamino)acetyl]amino]-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 54839780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).