N-ethyl-4-[[2-(2-methylphenyl)acetyl]amino]-N-naphthalen-1-ylbenzamide

C28H26N2O2 — CID 26169011

IUPACN-ethyl-4-[[2-(2-methylphenyl)acetyl]amino]-N-naphthalen-1-ylbenzamide
SMILESCCN(C(=O)c1ccc(NC(=O)Cc2ccccc2C)cc1)c1cccc2ccccc12
InChIInChI=1S/C28H26N2O2/c1-3-30(26-14-8-12-21-10-6-7-13-25(21)26)28(32)22-15-17-24(18-16-22)29-27(31)19-23-11-5-4-9-20(23)2/h4-18H,3,19H2,1-2H3,(H,29,31)
InChIKeyKANBRDSAJVPGPQ-UHFFFAOYSA-N
MW422.53 g/mol
LogP6.00
Rot. Bonds6

About N-ethyl-4-[[2-(2-methylphenyl)acetyl]amino]-N-naphthalen-1-ylbenzamide

N-ethyl-4-[[2-(2-methylphenyl)acetyl]amino]-N-naphthalen-1-ylbenzamide (PubChem CID 26169011) has the molecular formula C28H26N2O2 and a molecular weight of 422.53 g/mol. Its IUPAC name is N-ethyl-4-[[2-(2-methylphenyl)acetyl]amino]-N-naphthalen-1-ylbenzamide.

Molecular Properties

Compound NameN-ethyl-4-[[2-(2-methylphenyl)acetyl]amino]-N-naphthalen-1-ylbenzamide
PubChem CID26169011
Molecular FormulaC28H26N2O2
Molecular Weight422.53 g/mol
Exact Mass422.20
IUPAC NameN-ethyl-4-[[2-(2-methylphenyl)acetyl]amino]-N-naphthalen-1-ylbenzamide
SMILESCCN(C(=O)c1ccc(NC(=O)Cc2ccccc2C)cc1)c1cccc2ccccc12
InChIInChI=1S/C28H26N2O2/c1-3-30(26-14-8-12-21-10-6-7-13-25(21)26)28(32)22-15-17-24(18-16-22)29-27(31)19-23-11-5-4-9-20(23)2/h4-18H,3,19H2,1-2H3,(H,29,31)
InChIKeyKANBRDSAJVPGPQ-UHFFFAOYSA-N
XLogP6.00
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.53
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 3-[4-[ethyl(naphthalen-1-yl)carbamoyl]anilino]-3-oxopropanoate
CID 26168945
4-benzamido-N-ethyl-N-naphthalen-1-ylbenzamide
CID 4940825
4-[(2,2-diphenylacetyl)amino]-N-ethyl-N-naphthalen-1-ylbenzamide
CID 4940823
4-[4-[ethyl(naphthalen-1-yl)carbamoyl]anilino]-4-oxobut-2-enoic acid
CID 4940775
N-ethyl-4-[(4-methoxybenzoyl)amino]-N-naphthalen-1-ylbenzamide
CID 4940850
4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-ethyl-N-naphthalen-1-ylbenzamide
CID 4940764
4-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]-N-ethyl-N-naphthalen-1-ylbenzamide
CID 43878391
N-(4-acetylphenyl)-2-(2-methylphenyl)acetamide
CID 24696355
N-[4-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]-3,4,5-trimethoxybenzamide
CID 4940863
N-[2-(diethylamino)ethyl]-4-[[2-(2-methylphenyl)acetyl]amino]benzamide
CID 26163528
N-[3-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]-2-methylbenzamide
CID 68908310
4-[2-(dicyanomethylidene)hydrazinyl]-N-ethyl-N-naphthalen-1-ylbenzamide
CID 169340310

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[[2-(2-methylphenyl)acetyl]amino]-N-naphthalen-1-ylbenzamide?
The IUPAC name of N-ethyl-4-[[2-(2-methylphenyl)acetyl]amino]-N-naphthalen-1-ylbenzamide (CID 26169011) is N-ethyl-4-[[2-(2-methylphenyl)acetyl]amino]-N-naphthalen-1-ylbenzamide.
What is the SMILES notation for N-ethyl-4-[[2-(2-methylphenyl)acetyl]amino]-N-naphthalen-1-ylbenzamide?
The canonical SMILES for N-ethyl-4-[[2-(2-methylphenyl)acetyl]amino]-N-naphthalen-1-ylbenzamide is CCN(C(=O)c1ccc(NC(=O)Cc2ccccc2C)cc1)c1cccc2ccccc12.
What is the InChIKey of N-ethyl-4-[[2-(2-methylphenyl)acetyl]amino]-N-naphthalen-1-ylbenzamide?
The InChIKey is KANBRDSAJVPGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O2/c1-3-30(26-14-8-12-21-10-6-7-13-25(21)26)28(32)22-15-17-24(18-16-22)29-27(31)19-23-11-5-4-9-20(23)2/h4-18H,3,19H2,1-2H3,(H,29,31).
What are the key properties of N-ethyl-4-[[2-(2-methylphenyl)acetyl]amino]-N-naphthalen-1-ylbenzamide?
N-ethyl-4-[[2-(2-methylphenyl)acetyl]amino]-N-naphthalen-1-ylbenzamide has a molecular weight of 422.53 g/mol, XLogP of 6.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[[2-(2-methylphenyl)acetyl]amino]-N-naphthalen-1-ylbenzamide is sourced from PubChem (CID 26169011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).