4-heptoxy-N-naphthalen-1-ylbenzamide

C24H27NO2 — CID 4950571

IUPAC4-heptoxy-N-naphthalen-1-ylbenzamide
SMILESCCCCCCCOc1ccc(C(=O)Nc2cccc3ccccc23)cc1
InChIInChI=1S/C24H27NO2/c1-2-3-4-5-8-18-27-21-16-14-20(15-17-21)24(26)25-23-13-9-11-19-10-6-7-12-22(19)23/h6-7,9-17H,2-5,8,18H2,1H3,(H,25,26)
InChIKeyLAFAOTMDIQXZRE-UHFFFAOYSA-N
MW361.49 g/mol
LogP6.44
Rot. Bonds9

About 4-heptoxy-N-naphthalen-1-ylbenzamide

4-heptoxy-N-naphthalen-1-ylbenzamide (PubChem CID 4950571) has the molecular formula C24H27NO2 and a molecular weight of 361.49 g/mol. Its IUPAC name is 4-heptoxy-N-naphthalen-1-ylbenzamide.

Molecular Properties

Compound Name4-heptoxy-N-naphthalen-1-ylbenzamide
PubChem CID4950571
Molecular FormulaC24H27NO2
Molecular Weight361.49 g/mol
Exact Mass361.20
IUPAC Name4-heptoxy-N-naphthalen-1-ylbenzamide
SMILESCCCCCCCOc1ccc(C(=O)Nc2cccc3ccccc23)cc1
InChIInChI=1S/C24H27NO2/c1-2-3-4-5-8-18-27-21-16-14-20(15-17-21)24(26)25-23-13-9-11-19-10-6-7-12-22(19)23/h6-7,9-17H,2-5,8,18H2,1H3,(H,25,26)
InChIKeyLAFAOTMDIQXZRE-UHFFFAOYSA-N
XLogP6.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.49
LogP ≤ 56.44
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

4-propoxy-N-[5-[(4-propoxybenzoyl)amino]naphthalen-1-yl]benzamide
CID 4939588
N-[2-[(4-butoxybenzoyl)amino]phenyl]-4-methoxybenzamide
CID 10811951
N-(2-ethoxyphenyl)-4-heptoxybenzamide
CID 4950665
4-hexoxy-N-(2-methoxyphenyl)benzamide
CID 4933658
N'-(4-hexadecoxybenzoyl)naphthalene-1-carbohydrazide
CID 162371332
N-ethyl-2-[(4-hexoxybenzoyl)amino]benzamide
CID 4933761
4-butoxy-N-quinolin-5-ylbenzamide
CID 3982301
methyl 2-[(4-pentoxybenzoyl)amino]benzoate
CID 4935100
[2-[(4-octoxybenzoyl)amino]phenyl] dihydrogen phosphate
CID 155429698
ethyl 2-[(4-hexoxybenzoyl)amino]benzoate
CID 19170768
1-(4-butoxyphenyl)-3-naphthalen-1-ylurea
CID 4146159
N-(4-hexoxyphenyl)-2-(naphthalen-1-ylamino)acetamide
CID 54809387

Frequently Asked Questions

What is the IUPAC name of 4-heptoxy-N-naphthalen-1-ylbenzamide?
The IUPAC name of 4-heptoxy-N-naphthalen-1-ylbenzamide (CID 4950571) is 4-heptoxy-N-naphthalen-1-ylbenzamide.
What is the SMILES notation for 4-heptoxy-N-naphthalen-1-ylbenzamide?
The canonical SMILES for 4-heptoxy-N-naphthalen-1-ylbenzamide is CCCCCCCOc1ccc(C(=O)Nc2cccc3ccccc23)cc1.
What is the InChIKey of 4-heptoxy-N-naphthalen-1-ylbenzamide?
The InChIKey is LAFAOTMDIQXZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO2/c1-2-3-4-5-8-18-27-21-16-14-20(15-17-21)24(26)25-23-13-9-11-19-10-6-7-12-22(19)23/h6-7,9-17H,2-5,8,18H2,1H3,(H,25,26).
What are the key properties of 4-heptoxy-N-naphthalen-1-ylbenzamide?
4-heptoxy-N-naphthalen-1-ylbenzamide has a molecular weight of 361.49 g/mol, XLogP of 6.44, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-heptoxy-N-naphthalen-1-ylbenzamide is sourced from PubChem (CID 4950571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).