3-methoxy-N-(3-methylbutan-2-yl)naphthalene-2-carboxamide

C17H21NO2 — CID 133250038

IUPAC3-methoxy-N-(3-methylbutan-2-yl)naphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)NC(C)C(C)C
InChIInChI=1S/C17H21NO2/c1-11(2)12(3)18-17(19)15-9-13-7-5-6-8-14(13)10-16(15)20-4/h5-12H,1-4H3,(H,18,19)
InChIKeyRFLHBYGTDXYLFF-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.62
Rot. Bonds4

About 3-methoxy-N-(3-methylbutan-2-yl)naphthalene-2-carboxamide

3-methoxy-N-(3-methylbutan-2-yl)naphthalene-2-carboxamide (PubChem CID 133250038) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-methoxy-N-(3-methylbutan-2-yl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-methoxy-N-(3-methylbutan-2-yl)naphthalene-2-carboxamide
PubChem CID133250038
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name3-methoxy-N-(3-methylbutan-2-yl)naphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)NC(C)C(C)C
InChIInChI=1S/C17H21NO2/c1-11(2)12(3)18-17(19)15-9-13-7-5-6-8-14(13)10-16(15)20-4/h5-12H,1-4H3,(H,18,19)
InChIKeyRFLHBYGTDXYLFF-UHFFFAOYSA-N
XLogP3.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-methoxy-N-(3-methylbutan-2-yl)naphthalene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methoxy-N-[(1R)-1-(4-methylphenyl)ethyl]naphthalene-2-carboxamide
CID 28633409
2-methoxy-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 94867704
3-methoxy-N-[(2S)-1-phenylpropan-2-yl]naphthalene-2-carboxamide
CID 706056
N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-3-methoxynaphthalene-2-carboxamide
CID 92646642
3-methoxy-N-[(2S)-4-phenylbutan-2-yl]naphthalene-2-carboxamide
CID 26290914
N-[1-(furan-2-yl)ethyl]-3-methoxynaphthalene-2-carboxamide
CID 18116872
3-methoxy-N-[(1S)-1-phenylpropyl]naphthalene-2-carboxamide
CID 92675789
N-[2-(dimethylamino)-3-methylbutyl]-3-methoxynaphthalene-2-carboxamide
CID 24650094
3-methoxy-N-[(1R)-1-(4-methoxyphenyl)propyl]naphthalene-2-carboxamide
CID 9115734
3-methoxy-N-(1-pyridin-3-ylethyl)naphthalene-2-carboxamide
CID 18110339
1-N,2-N-bis[(2R)-3-methylbutan-2-yl]benzene-1,2-dicarboxamide
CID 786717
3-methoxy-N-[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]naphthalene-2-carboxamide
CID 92674914

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(3-methylbutan-2-yl)naphthalene-2-carboxamide?
The IUPAC name of 3-methoxy-N-(3-methylbutan-2-yl)naphthalene-2-carboxamide (CID 133250038) is 3-methoxy-N-(3-methylbutan-2-yl)naphthalene-2-carboxamide.
What is the SMILES notation for 3-methoxy-N-(3-methylbutan-2-yl)naphthalene-2-carboxamide?
The canonical SMILES for 3-methoxy-N-(3-methylbutan-2-yl)naphthalene-2-carboxamide is COc1cc2ccccc2cc1C(=O)NC(C)C(C)C.
What is the InChIKey of 3-methoxy-N-(3-methylbutan-2-yl)naphthalene-2-carboxamide?
The InChIKey is RFLHBYGTDXYLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-11(2)12(3)18-17(19)15-9-13-7-5-6-8-14(13)10-16(15)20-4/h5-12H,1-4H3,(H,18,19).
What are the key properties of 3-methoxy-N-(3-methylbutan-2-yl)naphthalene-2-carboxamide?
3-methoxy-N-(3-methylbutan-2-yl)naphthalene-2-carboxamide has a molecular weight of 271.36 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(3-methylbutan-2-yl)naphthalene-2-carboxamide is sourced from PubChem (CID 133250038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).