N-[2-methyl-4-[3-methyl-4-[(2-naphthalen-1-ylacetyl)amino]phenyl]phenyl]-2-naphthalen-1-ylacetamide

C38H32N2O2 — CID 5046552

IUPACN-[2-methyl-4-[3-methyl-4-[(2-naphthalen-1-ylacetyl)amino]phenyl]phenyl]-2-naphthalen-1-ylacetamide
SMILESCc1cc(-c2ccc(NC(=O)Cc3cccc4ccccc34)c(C)c2)ccc1NC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C38H32N2O2/c1-25-21-29(17-19-35(25)39-37(41)23-31-13-7-11-27-9-3-5-15-33(27)31)30-18-20-36(26(2)22-30)40-38(42)24-32-14-8-12-28-10-4-6-16-34(28)32/h3-22H,23-24H2,1-2H3,(H,39,41)(H,40,42)
InChIKeyMIKGIRCMYGULBD-UHFFFAOYSA-N
MW548.69 g/mol
LogP8.64
Rot. Bonds7

About N-[2-methyl-4-[3-methyl-4-[(2-naphthalen-1-ylacetyl)amino]phenyl]phenyl]-2-naphthalen-1-ylacetamide

N-[2-methyl-4-[3-methyl-4-[(2-naphthalen-1-ylacetyl)amino]phenyl]phenyl]-2-naphthalen-1-ylacetamide (PubChem CID 5046552) has the molecular formula C38H32N2O2 and a molecular weight of 548.69 g/mol. Its IUPAC name is N-[2-methyl-4-[3-methyl-4-[(2-naphthalen-1-ylacetyl)amino]phenyl]phenyl]-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[2-methyl-4-[3-methyl-4-[(2-naphthalen-1-ylacetyl)amino]phenyl]phenyl]-2-naphthalen-1-ylacetamide
PubChem CID5046552
Molecular FormulaC38H32N2O2
Molecular Weight548.69 g/mol
Exact Mass548.25
IUPAC NameN-[2-methyl-4-[3-methyl-4-[(2-naphthalen-1-ylacetyl)amino]phenyl]phenyl]-2-naphthalen-1-ylacetamide
SMILESCc1cc(-c2ccc(NC(=O)Cc3cccc4ccccc34)c(C)c2)ccc1NC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C38H32N2O2/c1-25-21-29(17-19-35(25)39-37(41)23-31-13-7-11-27-9-3-5-15-33(27)31)30-18-20-36(26(2)22-30)40-38(42)24-32-14-8-12-28-10-4-6-16-34(28)32/h3-22H,23-24H2,1-2H3,(H,39,41)(H,40,42)
InChIKeyMIKGIRCMYGULBD-UHFFFAOYSA-N
XLogP8.64
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.69
LogP ≤ 58.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dimethylphenyl)-2-naphthalen-1-ylacetamide
CID 1228165
N-(2-ethylphenyl)-2-naphthalen-1-ylacetamide
CID 1228282
N-(2,4-dimethylphenyl)-4-[(2-naphthalen-1-ylacetyl)amino]benzamide
CID 7311940
N-(2,4-dimethylphenyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide
CID 31087808
[2-(2,4-dimethylanilino)-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate
CID 8574218
1-(4-chloro-2-methylphenyl)-3-[(2-naphthalen-1-ylacetyl)amino]thiourea
CID 12674110
N-(2-bromophenyl)-2-naphthalen-1-ylacetamide
CID 835456
(2S)-N-(2-methylphenyl)-2-[(2-naphthalen-1-ylacetyl)amino]propanamide
CID 24535921
methyl 3-[4-[4-[(3-methoxy-3-oxopropanoyl)amino]-3-methylphenyl]-2-methylanilino]-3-oxopropanoate
CID 28638271
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-naphthalen-1-ylacetamide
CID 103895382
methyl 3-methyl-4-[[2-(naphthalen-1-ylmethylsulfanyl)acetyl]amino]benzoate
CID 17360507
dimethyl 2-[(2-naphthalen-1-ylacetyl)amino]benzene-1,4-dicarboxylate
CID 7314091

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-[3-methyl-4-[(2-naphthalen-1-ylacetyl)amino]phenyl]phenyl]-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[2-methyl-4-[3-methyl-4-[(2-naphthalen-1-ylacetyl)amino]phenyl]phenyl]-2-naphthalen-1-ylacetamide (CID 5046552) is N-[2-methyl-4-[3-methyl-4-[(2-naphthalen-1-ylacetyl)amino]phenyl]phenyl]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[2-methyl-4-[3-methyl-4-[(2-naphthalen-1-ylacetyl)amino]phenyl]phenyl]-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[2-methyl-4-[3-methyl-4-[(2-naphthalen-1-ylacetyl)amino]phenyl]phenyl]-2-naphthalen-1-ylacetamide is Cc1cc(-c2ccc(NC(=O)Cc3cccc4ccccc34)c(C)c2)ccc1NC(=O)Cc1cccc2ccccc12.
What is the InChIKey of N-[2-methyl-4-[3-methyl-4-[(2-naphthalen-1-ylacetyl)amino]phenyl]phenyl]-2-naphthalen-1-ylacetamide?
The InChIKey is MIKGIRCMYGULBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H32N2O2/c1-25-21-29(17-19-35(25)39-37(41)23-31-13-7-11-27-9-3-5-15-33(27)31)30-18-20-36(26(2)22-30)40-38(42)24-32-14-8-12-28-10-4-6-16-34(28)32/h3-22H,23-24H2,1-2H3,(H,39,41)(H,40,42).
What are the key properties of N-[2-methyl-4-[3-methyl-4-[(2-naphthalen-1-ylacetyl)amino]phenyl]phenyl]-2-naphthalen-1-ylacetamide?
N-[2-methyl-4-[3-methyl-4-[(2-naphthalen-1-ylacetyl)amino]phenyl]phenyl]-2-naphthalen-1-ylacetamide has a molecular weight of 548.69 g/mol, XLogP of 8.64, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-[3-methyl-4-[(2-naphthalen-1-ylacetyl)amino]phenyl]phenyl]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 5046552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).