(7-naphthalen-1-ylheptanoylamino) benzoate

C24H25NO3 — CID 18979137

IUPAC(7-naphthalen-1-ylheptanoylamino) benzoate
SMILESO=C(CCCCCCc1cccc2ccccc12)NOC(=O)c1ccccc1
InChIInChI=1S/C24H25NO3/c26-23(25-28-24(27)21-13-5-3-6-14-21)18-7-2-1-4-11-19-15-10-16-20-12-8-9-17-22(19)20/h3,5-6,8-10,12-17H,1-2,4,7,11,18H2,(H,25,26)
InChIKeyXQGDYWVULSDGFJ-UHFFFAOYSA-N
MW375.47 g/mol
LogP5.22
Rot. Bonds8

About (7-naphthalen-1-ylheptanoylamino) benzoate

(7-naphthalen-1-ylheptanoylamino) benzoate (PubChem CID 18979137) has the molecular formula C24H25NO3 and a molecular weight of 375.47 g/mol. Its IUPAC name is (7-naphthalen-1-ylheptanoylamino) benzoate.

Molecular Properties

Compound Name(7-naphthalen-1-ylheptanoylamino) benzoate
PubChem CID18979137
Molecular FormulaC24H25NO3
Molecular Weight375.47 g/mol
Exact Mass375.18
IUPAC Name(7-naphthalen-1-ylheptanoylamino) benzoate
SMILESO=C(CCCCCCc1cccc2ccccc12)NOC(=O)c1ccccc1
InChIInChI=1S/C24H25NO3/c26-23(25-28-24(27)21-13-5-3-6-14-21)18-7-2-1-4-11-19-15-10-16-20-12-8-9-17-22(19)20/h3,5-6,8-10,12-17H,1-2,4,7,11,18H2,(H,25,26)
InChIKeyXQGDYWVULSDGFJ-UHFFFAOYSA-N
XLogP5.22
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.47
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[[8-(benzoyloxyamino)-8-oxooctanoyl]amino] benzoate
CID 569846
8-naphthalen-1-yloctan-1-amine
CID 100987116
3-naphthalen-1-ylpropyl carbamate
CID 175301350
N-(2-naphthalen-1-ylethyl)-5-sulfanylpentanamide
CID 102486340
4-naphthalen-1-ylbutanoyl 4-phenylbutanoate
CID 138543453
4-amino-N-(3-naphthalen-1-ylpropyl)pent-4-enamide
CID 89353009
1-[(E)-henicos-19-enyl]naphthalene
CID 101307754
2-(3-naphthalen-1-ylpropylamino)acetamide;dihydrochloride
CID 69310962
(2S)-2-(6-hydroxyhexanoylamino)-3-naphthalen-1-ylpropanoic acid
CID 68734772
1-tetradecylnaphthalene
CID 14402128
2-naphthalen-1-yl-1-phenylethanone
CID 10900926
1-non-8-enylnaphthalene
CID 101304361

Frequently Asked Questions

What is the IUPAC name of (7-naphthalen-1-ylheptanoylamino) benzoate?
The IUPAC name of (7-naphthalen-1-ylheptanoylamino) benzoate (CID 18979137) is (7-naphthalen-1-ylheptanoylamino) benzoate.
What is the SMILES notation for (7-naphthalen-1-ylheptanoylamino) benzoate?
The canonical SMILES for (7-naphthalen-1-ylheptanoylamino) benzoate is O=C(CCCCCCc1cccc2ccccc12)NOC(=O)c1ccccc1.
What is the InChIKey of (7-naphthalen-1-ylheptanoylamino) benzoate?
The InChIKey is XQGDYWVULSDGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO3/c26-23(25-28-24(27)21-13-5-3-6-14-21)18-7-2-1-4-11-19-15-10-16-20-12-8-9-17-22(19)20/h3,5-6,8-10,12-17H,1-2,4,7,11,18H2,(H,25,26).
What are the key properties of (7-naphthalen-1-ylheptanoylamino) benzoate?
(7-naphthalen-1-ylheptanoylamino) benzoate has a molecular weight of 375.47 g/mol, XLogP of 5.22, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-naphthalen-1-ylheptanoylamino) benzoate is sourced from PubChem (CID 18979137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).