3-methoxy-N-[(3-propan-2-yloxyphenyl)methyl]naphthalene-2-carboxamide

C22H23NO3 — CID 43910398

IUPAC3-methoxy-N-[(3-propan-2-yloxyphenyl)methyl]naphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)NCc1cccc(OC(C)C)c1
InChIInChI=1S/C22H23NO3/c1-15(2)26-19-10-6-7-16(11-19)14-23-22(24)20-12-17-8-4-5-9-18(17)13-21(20)25-3/h4-13,15H,14H2,1-3H3,(H,23,24)
InChIKeyXIABWVGLPRNIBY-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.57
Rot. Bonds6

About 3-methoxy-N-[(3-propan-2-yloxyphenyl)methyl]naphthalene-2-carboxamide

3-methoxy-N-[(3-propan-2-yloxyphenyl)methyl]naphthalene-2-carboxamide (PubChem CID 43910398) has the molecular formula C22H23NO3 and a molecular weight of 349.43 g/mol. Its IUPAC name is 3-methoxy-N-[(3-propan-2-yloxyphenyl)methyl]naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-methoxy-N-[(3-propan-2-yloxyphenyl)methyl]naphthalene-2-carboxamide
PubChem CID43910398
Molecular FormulaC22H23NO3
Molecular Weight349.43 g/mol
Exact Mass349.17
IUPAC Name3-methoxy-N-[(3-propan-2-yloxyphenyl)methyl]naphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)NCc1cccc(OC(C)C)c1
InChIInChI=1S/C22H23NO3/c1-15(2)26-19-10-6-7-16(11-19)14-23-22(24)20-12-17-8-4-5-9-18(17)13-21(20)25-3/h4-13,15H,14H2,1-3H3,(H,23,24)
InChIKeyXIABWVGLPRNIBY-UHFFFAOYSA-N
XLogP4.57
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-N-[(3-methoxyphenyl)methyl]naphthalene-2-carboxamide
CID 27231686
N-[(3-fluoro-4-methylphenyl)methyl]-3-methoxynaphthalene-2-carboxamide
CID 24535452
3-methoxy-N-[(2-methylphenyl)methyl]naphthalene-2-carboxamide
CID 9104702
1-oxo-N-[(3-propan-2-yloxyphenyl)methyl]-2H-isoquinoline-3-carboxamide
CID 56817985
(2S)-2-naphthalen-2-yloxy-N-[(3-propan-2-yloxyphenyl)methyl]propanamide
CID 99131030
3-methoxy-N-[(2S)-1-phenylpropan-2-yl]naphthalene-2-carboxamide
CID 706056
3-methoxy-N-(2-methoxyethyl)naphthalene-2-carboxamide
CID 26500862
N-[(3-methoxyphenyl)methyl]-5-propan-2-yloxypyridine-3-carboxamide
CID 53138000
3-(2-chlorophenyl)-1-methyl-N-[(3-propan-2-yloxyphenyl)methyl]pyrazole-4-carboxamide
CID 86901301
3-methoxy-N-[(2S)-4-phenylbutan-2-yl]naphthalene-2-carboxamide
CID 26290914
N-[2-(dimethylamino)-3-methylbutyl]-3-methoxynaphthalene-2-carboxamide
CID 24650094
N-[(3-methoxyphenyl)methyl]-N'-[(2-propan-2-yloxyphenyl)methyl]oxamide
CID 125144909

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(3-propan-2-yloxyphenyl)methyl]naphthalene-2-carboxamide?
The IUPAC name of 3-methoxy-N-[(3-propan-2-yloxyphenyl)methyl]naphthalene-2-carboxamide (CID 43910398) is 3-methoxy-N-[(3-propan-2-yloxyphenyl)methyl]naphthalene-2-carboxamide.
What is the SMILES notation for 3-methoxy-N-[(3-propan-2-yloxyphenyl)methyl]naphthalene-2-carboxamide?
The canonical SMILES for 3-methoxy-N-[(3-propan-2-yloxyphenyl)methyl]naphthalene-2-carboxamide is COc1cc2ccccc2cc1C(=O)NCc1cccc(OC(C)C)c1.
What is the InChIKey of 3-methoxy-N-[(3-propan-2-yloxyphenyl)methyl]naphthalene-2-carboxamide?
The InChIKey is XIABWVGLPRNIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO3/c1-15(2)26-19-10-6-7-16(11-19)14-23-22(24)20-12-17-8-4-5-9-18(17)13-21(20)25-3/h4-13,15H,14H2,1-3H3,(H,23,24).
What are the key properties of 3-methoxy-N-[(3-propan-2-yloxyphenyl)methyl]naphthalene-2-carboxamide?
3-methoxy-N-[(3-propan-2-yloxyphenyl)methyl]naphthalene-2-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(3-propan-2-yloxyphenyl)methyl]naphthalene-2-carboxamide is sourced from PubChem (CID 43910398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).