6-methoxy-N-phenyl-N-propan-2-ylnaphthalene-2-carboxamide;hydrate

C21H23NO3 — CID 110169848

IUPAC6-methoxy-N-phenyl-N-propan-2-ylnaphthalene-2-carboxamide;hydrate
SMILESCOc1ccc2cc(C(=O)N(c3ccccc3)C(C)C)ccc2c1.O
InChIInChI=1S/C21H21NO2.H2O/c1-15(2)22(19-7-5-4-6-8-19)21(23)18-10-9-17-14-20(24-3)12-11-16(17)13-18;/h4-15H,1-3H3;1H2
InChIKeyWFAJEPHDEVUPSW-UHFFFAOYSA-N
MW337.42 g/mol
LogP4.08
Rot. Bonds4

About 6-methoxy-N-phenyl-N-propan-2-ylnaphthalene-2-carboxamide;hydrate

6-methoxy-N-phenyl-N-propan-2-ylnaphthalene-2-carboxamide;hydrate (PubChem CID 110169848) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is 6-methoxy-N-phenyl-N-propan-2-ylnaphthalene-2-carboxamide;hydrate.

Molecular Properties

Compound Name6-methoxy-N-phenyl-N-propan-2-ylnaphthalene-2-carboxamide;hydrate
PubChem CID110169848
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC Name6-methoxy-N-phenyl-N-propan-2-ylnaphthalene-2-carboxamide;hydrate
SMILESCOc1ccc2cc(C(=O)N(c3ccccc3)C(C)C)ccc2c1.O
InChIInChI=1S/C21H21NO2.H2O/c1-15(2)22(19-7-5-4-6-8-19)21(23)18-10-9-17-14-20(24-3)12-11-16(17)13-18;/h4-15H,1-3H3;1H2
InChIKeyWFAJEPHDEVUPSW-UHFFFAOYSA-N
XLogP4.08
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-N-phenyl-N-[(1S)-1-phenylethyl]benzamide
CID 162689980
3-fluoro-4-methoxy-N-phenyl-N-propan-2-ylbenzamide
CID 78892722
3-methoxy-N-(4-methoxyphenyl)-N-phenylbenzamide
CID 23582269
N-[(2R)-but-3-en-2-yl]-N-(4-methoxyphenyl)benzamide
CID 12035937
N-(4-benzoylphenyl)-N-(4-methoxyphenyl)naphthalene-2-carboxamide
CID 70840440
1-(6-methoxynaphthalen-2-yl)-3-phenylpropane-1,3-dione
CID 102495157
N,N-bis(4-methoxyphenyl)naphthalene-2-carboxamide
CID 129035097
6-methoxy-N-methylnaphthalene-2-carbohydrazide
CID 116845699
4-methoxy-N-[4-oxo-4-(N-propan-2-ylanilino)butyl]benzamide
CID 55920471
2-(2,2-difluoro-1-phenylethenyl)-6-methoxynaphthalene
CID 132933173
2-naphthalen-2-yloxy-N-phenyl-N-propan-2-ylacetamide
CID 112781691
3-(4-methoxyphenyl)-N-phenyl-N-propan-2-ylpropanamide
CID 87009451

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-phenyl-N-propan-2-ylnaphthalene-2-carboxamide;hydrate?
The IUPAC name of 6-methoxy-N-phenyl-N-propan-2-ylnaphthalene-2-carboxamide;hydrate (CID 110169848) is 6-methoxy-N-phenyl-N-propan-2-ylnaphthalene-2-carboxamide;hydrate.
What is the SMILES notation for 6-methoxy-N-phenyl-N-propan-2-ylnaphthalene-2-carboxamide;hydrate?
The canonical SMILES for 6-methoxy-N-phenyl-N-propan-2-ylnaphthalene-2-carboxamide;hydrate is COc1ccc2cc(C(=O)N(c3ccccc3)C(C)C)ccc2c1.O.
What is the InChIKey of 6-methoxy-N-phenyl-N-propan-2-ylnaphthalene-2-carboxamide;hydrate?
The InChIKey is WFAJEPHDEVUPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2.H2O/c1-15(2)22(19-7-5-4-6-8-19)21(23)18-10-9-17-14-20(24-3)12-11-16(17)13-18;/h4-15H,1-3H3;1H2.
What are the key properties of 6-methoxy-N-phenyl-N-propan-2-ylnaphthalene-2-carboxamide;hydrate?
6-methoxy-N-phenyl-N-propan-2-ylnaphthalene-2-carboxamide;hydrate has a molecular weight of 337.42 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-phenyl-N-propan-2-ylnaphthalene-2-carboxamide;hydrate is sourced from PubChem (CID 110169848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).