6-methoxy-N-(1-phenylpropan-2-yl)naphthalene-2-carboxamide

C21H21NO2 — CID 142841274

IUPAC6-methoxy-N-(1-phenylpropan-2-yl)naphthalene-2-carboxamide
SMILESCOc1ccc2cc(C(=O)NC(C)Cc3ccccc3)ccc2c1
InChIInChI=1S/C21H21NO2/c1-15(12-16-6-4-3-5-7-16)22-21(23)19-9-8-18-14-20(24-2)11-10-17(18)13-19/h3-11,13-15H,12H2,1-2H3,(H,22,23)
InChIKeyICBOJJXZTFDOPZ-UHFFFAOYSA-N
MW319.40 g/mol
LogP4.21
Rot. Bonds5

About 6-methoxy-N-(1-phenylpropan-2-yl)naphthalene-2-carboxamide

6-methoxy-N-(1-phenylpropan-2-yl)naphthalene-2-carboxamide (PubChem CID 142841274) has the molecular formula C21H21NO2 and a molecular weight of 319.40 g/mol. Its IUPAC name is 6-methoxy-N-(1-phenylpropan-2-yl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-(1-phenylpropan-2-yl)naphthalene-2-carboxamide
PubChem CID142841274
Molecular FormulaC21H21NO2
Molecular Weight319.40 g/mol
Exact Mass319.16
IUPAC Name6-methoxy-N-(1-phenylpropan-2-yl)naphthalene-2-carboxamide
SMILESCOc1ccc2cc(C(=O)NC(C)Cc3ccccc3)ccc2c1
InChIInChI=1S/C21H21NO2/c1-15(12-16-6-4-3-5-7-16)22-21(23)19-9-8-18-14-20(24-2)11-10-17(18)13-19/h3-11,13-15H,12H2,1-2H3,(H,22,23)
InChIKeyICBOJJXZTFDOPZ-UHFFFAOYSA-N
XLogP4.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dimethoxy-N-(1-phenylpropan-2-yl)benzamide
CID 2843229
4-methoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 854833
3,4,5-trimethoxy-N-[(2R)-1-phenylpropan-2-yl]benzamide
CID 888468
(2S)-2-[(4-methoxybenzoyl)amino]-3-phenylpropanoic acid
CID 919358
3-methoxy-N-[(2S)-1-phenylpropan-2-yl]naphthalene-2-carboxamide
CID 706056
N-(1-phenylpropan-2-yl)-1H-indazole-6-carboxamide
CID 63010618
4-methoxy-3-nitro-N-(1-phenylpropan-2-yl)benzamide
CID 2908679
(E)-3-(4-methoxyphenyl)-N-[(2R)-1-phenylpropan-2-yl]prop-2-enamide
CID 757128
N-[4-[(6-methoxynaphthalen-2-yl)methylamino]-4-oxobutan-2-yl]benzamide
CID 51317181
3,4-dichloro-N-[(2S)-1-(4-phenylmethoxyphenyl)propan-2-yl]benzamide
CID 70988226
4-fluoro-3-methyl-N-(1-phenylpropan-2-yl)benzamide
CID 63213334
N-(1-phenylpropan-2-yl)-4-sulfanylbenzamide
CID 107029231

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(1-phenylpropan-2-yl)naphthalene-2-carboxamide?
The IUPAC name of 6-methoxy-N-(1-phenylpropan-2-yl)naphthalene-2-carboxamide (CID 142841274) is 6-methoxy-N-(1-phenylpropan-2-yl)naphthalene-2-carboxamide.
What is the SMILES notation for 6-methoxy-N-(1-phenylpropan-2-yl)naphthalene-2-carboxamide?
The canonical SMILES for 6-methoxy-N-(1-phenylpropan-2-yl)naphthalene-2-carboxamide is COc1ccc2cc(C(=O)NC(C)Cc3ccccc3)ccc2c1.
What is the InChIKey of 6-methoxy-N-(1-phenylpropan-2-yl)naphthalene-2-carboxamide?
The InChIKey is ICBOJJXZTFDOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2/c1-15(12-16-6-4-3-5-7-16)22-21(23)19-9-8-18-14-20(24-2)11-10-17(18)13-19/h3-11,13-15H,12H2,1-2H3,(H,22,23).
What are the key properties of 6-methoxy-N-(1-phenylpropan-2-yl)naphthalene-2-carboxamide?
6-methoxy-N-(1-phenylpropan-2-yl)naphthalene-2-carboxamide has a molecular weight of 319.40 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(1-phenylpropan-2-yl)naphthalene-2-carboxamide is sourced from PubChem (CID 142841274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).