1-(2-methoxy-4,6-dimethylphenyl)-N-(1-phenylethyl)naphthalene-2-carboxamide

C28H27NO2 — CID 625828

IUPAC1-(2-methoxy-4,6-dimethylphenyl)-N-(1-phenylethyl)naphthalene-2-carboxamide
SMILESCOc1cc(C)cc(C)c1-c1c(C(=O)NC(C)c2ccccc2)ccc2ccccc12
InChIInChI=1S/C28H27NO2/c1-18-16-19(2)26(25(17-18)31-4)27-23-13-9-8-12-22(23)14-15-24(27)28(30)29-20(3)21-10-6-5-7-11-21/h5-17,20H,1-4H3,(H,29,30)
InChIKeyKYCVPASLMFEHEL-UHFFFAOYSA-N
MW409.53 g/mol
LogP6.62
Rot. Bonds5

About 1-(2-methoxy-4,6-dimethylphenyl)-N-(1-phenylethyl)naphthalene-2-carboxamide

1-(2-methoxy-4,6-dimethylphenyl)-N-(1-phenylethyl)naphthalene-2-carboxamide (PubChem CID 625828) has the molecular formula C28H27NO2 and a molecular weight of 409.53 g/mol. Its IUPAC name is 1-(2-methoxy-4,6-dimethylphenyl)-N-(1-phenylethyl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name1-(2-methoxy-4,6-dimethylphenyl)-N-(1-phenylethyl)naphthalene-2-carboxamide
PubChem CID625828
Molecular FormulaC28H27NO2
Molecular Weight409.53 g/mol
Exact Mass409.20
IUPAC Name1-(2-methoxy-4,6-dimethylphenyl)-N-(1-phenylethyl)naphthalene-2-carboxamide
SMILESCOc1cc(C)cc(C)c1-c1c(C(=O)NC(C)c2ccccc2)ccc2ccccc12
InChIInChI=1S/C28H27NO2/c1-18-16-19(2)26(25(17-18)31-4)27-23-13-9-8-12-22(23)14-15-24(27)28(30)29-20(3)21-10-6-5-7-11-21/h5-17,20H,1-4H3,(H,29,30)
InChIKeyKYCVPASLMFEHEL-UHFFFAOYSA-N
XLogP6.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.53
LogP ≤ 56.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-hydroxy-4,6-dimethylphenyl)-N-[(1S)-1-phenylethyl]naphthalene-2-carboxamide
CID 100993738
1-[2-[[(1S)-1-phenylethyl]carbamoyl]naphthalen-1-yl]naphthalene-2-carboxylic acid
CID 14340492
1-[2-hydroxy-4,6-di(propan-2-yl)phenyl]-N-(1-phenylethyl)naphthalene-2-carboxamide
CID 101018158
3-methoxy-N-[(1R)-1-(4-methylphenyl)ethyl]naphthalene-2-carboxamide
CID 28633409
2,4-dimethoxy-N-[(1S)-1-phenylethyl]benzamide
CID 814199
2-(2,6-dimethoxy-4-methylphenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 7695512
2-hydroxy-3-methoxy-N-(1-phenylethyl)benzamide
CID 43176488
2-methoxy-N-[1-(4-methylphenyl)ethyl]benzamide
CID 43876733
4-methoxy-3-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 40950006
3-methoxy-4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 26009148
2-(3,4-dimethoxyphenyl)-N-[(1S)-1-phenylethyl]quinoline-4-carboxamide
CID 1273223
3,5-dimethoxy-4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 2557457

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4,6-dimethylphenyl)-N-(1-phenylethyl)naphthalene-2-carboxamide?
The IUPAC name of 1-(2-methoxy-4,6-dimethylphenyl)-N-(1-phenylethyl)naphthalene-2-carboxamide (CID 625828) is 1-(2-methoxy-4,6-dimethylphenyl)-N-(1-phenylethyl)naphthalene-2-carboxamide.
What is the SMILES notation for 1-(2-methoxy-4,6-dimethylphenyl)-N-(1-phenylethyl)naphthalene-2-carboxamide?
The canonical SMILES for 1-(2-methoxy-4,6-dimethylphenyl)-N-(1-phenylethyl)naphthalene-2-carboxamide is COc1cc(C)cc(C)c1-c1c(C(=O)NC(C)c2ccccc2)ccc2ccccc12.
What is the InChIKey of 1-(2-methoxy-4,6-dimethylphenyl)-N-(1-phenylethyl)naphthalene-2-carboxamide?
The InChIKey is KYCVPASLMFEHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27NO2/c1-18-16-19(2)26(25(17-18)31-4)27-23-13-9-8-12-22(23)14-15-24(27)28(30)29-20(3)21-10-6-5-7-11-21/h5-17,20H,1-4H3,(H,29,30).
What are the key properties of 1-(2-methoxy-4,6-dimethylphenyl)-N-(1-phenylethyl)naphthalene-2-carboxamide?
1-(2-methoxy-4,6-dimethylphenyl)-N-(1-phenylethyl)naphthalene-2-carboxamide has a molecular weight of 409.53 g/mol, XLogP of 6.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-4,6-dimethylphenyl)-N-(1-phenylethyl)naphthalene-2-carboxamide is sourced from PubChem (CID 625828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).