4-hexoxy-1-methyl-N-phenylnaphthalene-2-carboxamide

C24H27NO2 — CID 71169812

IUPAC4-hexoxy-1-methyl-N-phenylnaphthalene-2-carboxamide
SMILESCCCCCCOc1cc(C(=O)Nc2ccccc2)c(C)c2ccccc12
InChIInChI=1S/C24H27NO2/c1-3-4-5-11-16-27-23-17-22(18(2)20-14-9-10-15-21(20)23)24(26)25-19-12-7-6-8-13-19/h6-10,12-15,17H,3-5,11,16H2,1-2H3,(H,25,26)
InChIKeyUXLBXPDPLPPSSR-UHFFFAOYSA-N
MW361.49 g/mol
LogP6.36
Rot. Bonds8

About 4-hexoxy-1-methyl-N-phenylnaphthalene-2-carboxamide

4-hexoxy-1-methyl-N-phenylnaphthalene-2-carboxamide (PubChem CID 71169812) has the molecular formula C24H27NO2 and a molecular weight of 361.49 g/mol. Its IUPAC name is 4-hexoxy-1-methyl-N-phenylnaphthalene-2-carboxamide.

Molecular Properties

Compound Name4-hexoxy-1-methyl-N-phenylnaphthalene-2-carboxamide
PubChem CID71169812
Molecular FormulaC24H27NO2
Molecular Weight361.49 g/mol
Exact Mass361.20
IUPAC Name4-hexoxy-1-methyl-N-phenylnaphthalene-2-carboxamide
SMILESCCCCCCOc1cc(C(=O)Nc2ccccc2)c(C)c2ccccc12
InChIInChI=1S/C24H27NO2/c1-3-4-5-11-16-27-23-17-22(18(2)20-14-9-10-15-21(20)23)24(26)25-19-12-7-6-8-13-19/h6-10,12-15,17H,3-5,11,16H2,1-2H3,(H,25,26)
InChIKeyUXLBXPDPLPPSSR-UHFFFAOYSA-N
XLogP6.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.49
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-pentoxy-N-[3-(phenylcarbamoyl)phenyl]benzamide
CID 54781200
2-hexoxy-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 4958241
1-bromo-4-pentoxynaphthalene-2-carboxylic acid
CID 19363375
tetradecyl 2-(phenylcarbamoyl)naphthalene-1-carboxylate
CID 163647049
N-(3,4-dimethylphenyl)-2-pentoxybenzamide
CID 4946489
4-(4-aminophenoxy)-1-hydroxy-N-(4-octadecoxyphenyl)naphthalene-2-carboxamide
CID 43834944
2-hexoxy-N-(3-phenylmethoxyphenyl)benzamide
CID 17086084
5-bromo-N-[4-[(5-bromo-2-hexoxybenzoyl)amino]phenyl]-2-hexoxybenzamide
CID 17344071
2-[(4-decoxyphenyl)carbamoyl]benzoic acid
CID 51001456
2-hexoxy-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 28642652
N-[4-(diethylamino)phenyl]-2-hexoxybenzamide
CID 4941952
2-[(3-undecoxyphenyl)carbamoyl]benzoic acid
CID 51001454

Frequently Asked Questions

What is the IUPAC name of 4-hexoxy-1-methyl-N-phenylnaphthalene-2-carboxamide?
The IUPAC name of 4-hexoxy-1-methyl-N-phenylnaphthalene-2-carboxamide (CID 71169812) is 4-hexoxy-1-methyl-N-phenylnaphthalene-2-carboxamide.
What is the SMILES notation for 4-hexoxy-1-methyl-N-phenylnaphthalene-2-carboxamide?
The canonical SMILES for 4-hexoxy-1-methyl-N-phenylnaphthalene-2-carboxamide is CCCCCCOc1cc(C(=O)Nc2ccccc2)c(C)c2ccccc12.
What is the InChIKey of 4-hexoxy-1-methyl-N-phenylnaphthalene-2-carboxamide?
The InChIKey is UXLBXPDPLPPSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO2/c1-3-4-5-11-16-27-23-17-22(18(2)20-14-9-10-15-21(20)23)24(26)25-19-12-7-6-8-13-19/h6-10,12-15,17H,3-5,11,16H2,1-2H3,(H,25,26).
What are the key properties of 4-hexoxy-1-methyl-N-phenylnaphthalene-2-carboxamide?
4-hexoxy-1-methyl-N-phenylnaphthalene-2-carboxamide has a molecular weight of 361.49 g/mol, XLogP of 6.36, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexoxy-1-methyl-N-phenylnaphthalene-2-carboxamide is sourced from PubChem (CID 71169812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).