N-[3-[1-[(2-naphthalen-1-ylacetyl)amino]ethyl]phenyl]benzamide

C27H24N2O2 — CID 46464519

IUPACN-[3-[1-[(2-naphthalen-1-ylacetyl)amino]ethyl]phenyl]benzamide
SMILESCC(NC(=O)Cc1cccc2ccccc12)c1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C27H24N2O2/c1-19(28-26(30)18-23-14-7-12-20-9-5-6-16-25(20)23)22-13-8-15-24(17-22)29-27(31)21-10-3-2-4-11-21/h2-17,19H,18H2,1H3,(H,28,30)(H,29,31)
InChIKeyGZCCMUJHBIXJBA-UHFFFAOYSA-N
MW408.50 g/mol
LogP5.51
Rot. Bonds6

About N-[3-[1-[(2-naphthalen-1-ylacetyl)amino]ethyl]phenyl]benzamide

N-[3-[1-[(2-naphthalen-1-ylacetyl)amino]ethyl]phenyl]benzamide (PubChem CID 46464519) has the molecular formula C27H24N2O2 and a molecular weight of 408.50 g/mol. Its IUPAC name is N-[3-[1-[(2-naphthalen-1-ylacetyl)amino]ethyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[3-[1-[(2-naphthalen-1-ylacetyl)amino]ethyl]phenyl]benzamide
PubChem CID46464519
Molecular FormulaC27H24N2O2
Molecular Weight408.50 g/mol
Exact Mass408.18
IUPAC NameN-[3-[1-[(2-naphthalen-1-ylacetyl)amino]ethyl]phenyl]benzamide
SMILESCC(NC(=O)Cc1cccc2ccccc12)c1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C27H24N2O2/c1-19(28-26(30)18-23-14-7-12-20-9-5-6-16-25(20)23)22-13-8-15-24(17-22)29-27(31)21-10-3-2-4-11-21/h2-17,19H,18H2,1H3,(H,28,30)(H,29,31)
InChIKeyGZCCMUJHBIXJBA-UHFFFAOYSA-N
XLogP5.51
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.50
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-naphthalen-1-yl-N-[(1S)-1-phenylethyl]acetamide
CID 1225206
N-[3-[(1S)-1-[[2-[(2-phenylacetyl)amino]acetyl]amino]ethyl]phenyl]benzamide
CID 51725330
N-[3-[(1S)-1-[[2-(4-methoxyphenoxy)acetyl]amino]ethyl]phenyl]benzamide
CID 51727122
N-[3-[1-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]phenyl]benzamide
CID 46456558
N-[2-[1-(3-benzamidophenyl)ethylamino]-2-oxoethyl]-2-chlorobenzamide
CID 46456768
N-[2-[1-(3-benzamidophenyl)ethylamino]-2-oxoethyl]-3-fluorobenzamide
CID 47035362
N-[3-[1-[(2-cyclohexylacetyl)amino]ethyl]phenyl]benzamide
CID 46456437
2-naphthalen-1-yl-N-[(1R)-1-(4-phenylphenyl)ethyl]acetamide
CID 7948833
N-[1-(3-acetamidophenyl)ethyl]benzamide
CID 46468162
N-[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 9164665
N-methyl-3-[(2-naphthalen-1-ylacetyl)amino]benzamide
CID 10914143
N-[3-[1-(3-thiophen-3-ylpropanoylamino)ethyl]phenyl]benzamide
CID 46465115

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[(2-naphthalen-1-ylacetyl)amino]ethyl]phenyl]benzamide?
The IUPAC name of N-[3-[1-[(2-naphthalen-1-ylacetyl)amino]ethyl]phenyl]benzamide (CID 46464519) is N-[3-[1-[(2-naphthalen-1-ylacetyl)amino]ethyl]phenyl]benzamide.
What is the SMILES notation for N-[3-[1-[(2-naphthalen-1-ylacetyl)amino]ethyl]phenyl]benzamide?
The canonical SMILES for N-[3-[1-[(2-naphthalen-1-ylacetyl)amino]ethyl]phenyl]benzamide is CC(NC(=O)Cc1cccc2ccccc12)c1cccc(NC(=O)c2ccccc2)c1.
What is the InChIKey of N-[3-[1-[(2-naphthalen-1-ylacetyl)amino]ethyl]phenyl]benzamide?
The InChIKey is GZCCMUJHBIXJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O2/c1-19(28-26(30)18-23-14-7-12-20-9-5-6-16-25(20)23)22-13-8-15-24(17-22)29-27(31)21-10-3-2-4-11-21/h2-17,19H,18H2,1H3,(H,28,30)(H,29,31).
What are the key properties of N-[3-[1-[(2-naphthalen-1-ylacetyl)amino]ethyl]phenyl]benzamide?
N-[3-[1-[(2-naphthalen-1-ylacetyl)amino]ethyl]phenyl]benzamide has a molecular weight of 408.50 g/mol, XLogP of 5.51, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[(2-naphthalen-1-ylacetyl)amino]ethyl]phenyl]benzamide is sourced from PubChem (CID 46464519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).