3-methoxy-N-[(1R)-1-(4-methylphenyl)ethyl]naphthalene-2-carboxamide

C21H21NO2 — CID 28633409

IUPAC3-methoxy-N-[(1R)-1-(4-methylphenyl)ethyl]naphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)N[C@H](C)c1ccc(C)cc1
InChIInChI=1S/C21H21NO2/c1-14-8-10-16(11-9-14)15(2)22-21(23)19-12-17-6-4-5-7-18(17)13-20(19)24-3/h4-13,15H,1-3H3,(H,22,23)/t15-/m1/s1
InChIKeyPHOJIDJHSUTZLU-OAHLLOKOSA-N
MW319.40 g/mol
LogP4.65
Rot. Bonds4

About 3-methoxy-N-[(1R)-1-(4-methylphenyl)ethyl]naphthalene-2-carboxamide

3-methoxy-N-[(1R)-1-(4-methylphenyl)ethyl]naphthalene-2-carboxamide (PubChem CID 28633409) has the molecular formula C21H21NO2 and a molecular weight of 319.40 g/mol. Its IUPAC name is 3-methoxy-N-[(1R)-1-(4-methylphenyl)ethyl]naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-methoxy-N-[(1R)-1-(4-methylphenyl)ethyl]naphthalene-2-carboxamide
PubChem CID28633409
Molecular FormulaC21H21NO2
Molecular Weight319.40 g/mol
Exact Mass319.16
IUPAC Name3-methoxy-N-[(1R)-1-(4-methylphenyl)ethyl]naphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)N[C@H](C)c1ccc(C)cc1
InChIInChI=1S/C21H21NO2/c1-14-8-10-16(11-9-14)15(2)22-21(23)19-12-17-6-4-5-7-18(17)13-20(19)24-3/h4-13,15H,1-3H3,(H,22,23)/t15-/m1/s1
InChIKeyPHOJIDJHSUTZLU-OAHLLOKOSA-N
XLogP4.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-N-[1-(4-methylphenyl)ethyl]benzamide
CID 43876733
N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-3-methoxynaphthalene-2-carboxamide
CID 92646642
3-methoxy-N-(3-methylbutan-2-yl)naphthalene-2-carboxamide
CID 133250038
3-methoxy-N-[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]naphthalene-2-carboxamide
CID 92674914
3-methoxy-N-(1-pyridin-3-ylethyl)naphthalene-2-carboxamide
CID 18110339
N-[1-(furan-2-yl)ethyl]-3-methoxynaphthalene-2-carboxamide
CID 18116872
N-[1-(4-bromophenyl)ethyl]-2-methoxy-5-methylbenzamide
CID 60666490
2,4-dimethoxy-N-[(1S)-1-phenylethyl]benzamide
CID 814199
3-methoxy-N-[(1R)-1-(4-methoxyphenyl)propyl]naphthalene-2-carboxamide
CID 9115734
4-methoxy-3-[[(1R)-1-phenylethyl]carbamoyl]benzoic acid
CID 129054309
2-fluoro-N-[1-(4-methylphenyl)ethyl]benzamide
CID 46590164
7-methoxy-N-[1-(4-methylphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 53281692

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(1R)-1-(4-methylphenyl)ethyl]naphthalene-2-carboxamide?
The IUPAC name of 3-methoxy-N-[(1R)-1-(4-methylphenyl)ethyl]naphthalene-2-carboxamide (CID 28633409) is 3-methoxy-N-[(1R)-1-(4-methylphenyl)ethyl]naphthalene-2-carboxamide.
What is the SMILES notation for 3-methoxy-N-[(1R)-1-(4-methylphenyl)ethyl]naphthalene-2-carboxamide?
The canonical SMILES for 3-methoxy-N-[(1R)-1-(4-methylphenyl)ethyl]naphthalene-2-carboxamide is COc1cc2ccccc2cc1C(=O)N[C@H](C)c1ccc(C)cc1.
What is the InChIKey of 3-methoxy-N-[(1R)-1-(4-methylphenyl)ethyl]naphthalene-2-carboxamide?
The InChIKey is PHOJIDJHSUTZLU-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H21NO2/c1-14-8-10-16(11-9-14)15(2)22-21(23)19-12-17-6-4-5-7-18(17)13-20(19)24-3/h4-13,15H,1-3H3,(H,22,23)/t15-/m1/s1.
What are the key properties of 3-methoxy-N-[(1R)-1-(4-methylphenyl)ethyl]naphthalene-2-carboxamide?
3-methoxy-N-[(1R)-1-(4-methylphenyl)ethyl]naphthalene-2-carboxamide has a molecular weight of 319.40 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(1R)-1-(4-methylphenyl)ethyl]naphthalene-2-carboxamide is sourced from PubChem (CID 28633409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).