N-benzyl-N,3-dimethyl-4-phenylnaphthalene-2-carboxamide

C26H23NO — CID 11132280

IUPACN-benzyl-N,3-dimethyl-4-phenylnaphthalene-2-carboxamide
SMILESCc1c(C(=O)N(C)Cc2ccccc2)cc2ccccc2c1-c1ccccc1
InChIInChI=1S/C26H23NO/c1-19-24(26(28)27(2)18-20-11-5-3-6-12-20)17-22-15-9-10-16-23(22)25(19)21-13-7-4-8-14-21/h3-17H,18H2,1-2H3
InChIKeyUELDSWZQWLSAOP-UHFFFAOYSA-N
MW365.48 g/mol
LogP6.09
Rot. Bonds4

About N-benzyl-N,3-dimethyl-4-phenylnaphthalene-2-carboxamide

N-benzyl-N,3-dimethyl-4-phenylnaphthalene-2-carboxamide (PubChem CID 11132280) has the molecular formula C26H23NO and a molecular weight of 365.48 g/mol. Its IUPAC name is N-benzyl-N,3-dimethyl-4-phenylnaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N,3-dimethyl-4-phenylnaphthalene-2-carboxamide
PubChem CID11132280
Molecular FormulaC26H23NO
Molecular Weight365.48 g/mol
Exact Mass365.18
IUPAC NameN-benzyl-N,3-dimethyl-4-phenylnaphthalene-2-carboxamide
SMILESCc1c(C(=O)N(C)Cc2ccccc2)cc2ccccc2c1-c1ccccc1
InChIInChI=1S/C26H23NO/c1-19-24(26(28)27(2)18-20-11-5-3-6-12-20)17-22-15-9-10-16-23(22)25(19)21-13-7-4-8-14-21/h3-17H,18H2,1-2H3
InChIKeyUELDSWZQWLSAOP-UHFFFAOYSA-N
XLogP6.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.48
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N,3-dimethyl-4-phenylnaphthalene-2-carboxamide?
The IUPAC name of N-benzyl-N,3-dimethyl-4-phenylnaphthalene-2-carboxamide (CID 11132280) is N-benzyl-N,3-dimethyl-4-phenylnaphthalene-2-carboxamide.
What is the SMILES notation for N-benzyl-N,3-dimethyl-4-phenylnaphthalene-2-carboxamide?
The canonical SMILES for N-benzyl-N,3-dimethyl-4-phenylnaphthalene-2-carboxamide is Cc1c(C(=O)N(C)Cc2ccccc2)cc2ccccc2c1-c1ccccc1.
What is the InChIKey of N-benzyl-N,3-dimethyl-4-phenylnaphthalene-2-carboxamide?
The InChIKey is UELDSWZQWLSAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO/c1-19-24(26(28)27(2)18-20-11-5-3-6-12-20)17-22-15-9-10-16-23(22)25(19)21-13-7-4-8-14-21/h3-17H,18H2,1-2H3.
What are the key properties of N-benzyl-N,3-dimethyl-4-phenylnaphthalene-2-carboxamide?
N-benzyl-N,3-dimethyl-4-phenylnaphthalene-2-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 6.09, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N,3-dimethyl-4-phenylnaphthalene-2-carboxamide is sourced from PubChem (CID 11132280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).