3-methoxy-N-[(2S)-1-phenylpropan-2-yl]naphthalene-2-carboxamide

C21H21NO2 — CID 706056

IUPAC3-methoxy-N-[(2S)-1-phenylpropan-2-yl]naphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)N[C@@H](C)Cc1ccccc1
InChIInChI=1S/C21H21NO2/c1-15(12-16-8-4-3-5-9-16)22-21(23)19-13-17-10-6-7-11-18(17)14-20(19)24-2/h3-11,13-15H,12H2,1-2H3,(H,22,23)/t15-/m0/s1
InChIKeyOHYWKROXXGTIQQ-HNNXBMFYSA-N
MW319.40 g/mol
LogP4.21
Rot. Bonds5

About 3-methoxy-N-[(2S)-1-phenylpropan-2-yl]naphthalene-2-carboxamide

3-methoxy-N-[(2S)-1-phenylpropan-2-yl]naphthalene-2-carboxamide (PubChem CID 706056) has the molecular formula C21H21NO2 and a molecular weight of 319.40 g/mol. Its IUPAC name is 3-methoxy-N-[(2S)-1-phenylpropan-2-yl]naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-methoxy-N-[(2S)-1-phenylpropan-2-yl]naphthalene-2-carboxamide
PubChem CID706056
Molecular FormulaC21H21NO2
Molecular Weight319.40 g/mol
Exact Mass319.16
IUPAC Name3-methoxy-N-[(2S)-1-phenylpropan-2-yl]naphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)N[C@@H](C)Cc1ccccc1
InChIInChI=1S/C21H21NO2/c1-15(12-16-8-4-3-5-9-16)22-21(23)19-13-17-10-6-7-11-18(17)14-20(19)24-2/h3-11,13-15H,12H2,1-2H3,(H,22,23)/t15-/m0/s1
InChIKeyOHYWKROXXGTIQQ-HNNXBMFYSA-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-methoxy-N-[(2S)-4-phenylbutan-2-yl]naphthalene-2-carboxamide
CID 26290914
3-methoxy-N-(3-methylbutan-2-yl)naphthalene-2-carboxamide
CID 133250038
3,4-dimethoxy-N-(1-phenylpropan-2-yl)benzamide
CID 2843229
3,4,5-trimethoxy-N-[(2R)-1-phenylpropan-2-yl]benzamide
CID 888468
N-[2-(dimethylamino)-3-phenylpropyl]-3-methoxynaphthalene-2-carboxamide
CID 18109898
3-methoxy-N-[(1S)-1-phenylpropyl]naphthalene-2-carboxamide
CID 92675789
6-methoxy-N-(1-phenylpropan-2-yl)naphthalene-2-carboxamide
CID 142841274
3-methoxy-N-[(1R)-1-(4-methylphenyl)ethyl]naphthalene-2-carboxamide
CID 28633409
N-[(2R)-1-(4-bromophenyl)propan-2-yl]-2-methoxybenzamide
CID 51948773
3-methoxy-N-(2-methoxyethyl)naphthalene-2-carboxamide
CID 26500862
[(2S)-1-oxo-1-[[(2R)-4-phenylbutan-2-yl]amino]propan-2-yl] 3-methoxynaphthalene-2-carboxylate
CID 7766836
N-[1-(furan-2-yl)ethyl]-3-methoxynaphthalene-2-carboxamide
CID 18116872

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(2S)-1-phenylpropan-2-yl]naphthalene-2-carboxamide?
The IUPAC name of 3-methoxy-N-[(2S)-1-phenylpropan-2-yl]naphthalene-2-carboxamide (CID 706056) is 3-methoxy-N-[(2S)-1-phenylpropan-2-yl]naphthalene-2-carboxamide.
What is the SMILES notation for 3-methoxy-N-[(2S)-1-phenylpropan-2-yl]naphthalene-2-carboxamide?
The canonical SMILES for 3-methoxy-N-[(2S)-1-phenylpropan-2-yl]naphthalene-2-carboxamide is COc1cc2ccccc2cc1C(=O)N[C@@H](C)Cc1ccccc1.
What is the InChIKey of 3-methoxy-N-[(2S)-1-phenylpropan-2-yl]naphthalene-2-carboxamide?
The InChIKey is OHYWKROXXGTIQQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H21NO2/c1-15(12-16-8-4-3-5-9-16)22-21(23)19-13-17-10-6-7-11-18(17)14-20(19)24-2/h3-11,13-15H,12H2,1-2H3,(H,22,23)/t15-/m0/s1.
What are the key properties of 3-methoxy-N-[(2S)-1-phenylpropan-2-yl]naphthalene-2-carboxamide?
3-methoxy-N-[(2S)-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 3-methoxy-N-[(2S)-1-phenylpropan-2-yl]naphthalene-2-carboxamide is sourced from PubChem (CID 706056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).