pentyl 4-(naphthalene-1-carbonylamino)benzoate

C23H23NO3 — CID 19203532

IUPACpentyl 4-(naphthalene-1-carbonylamino)benzoate
SMILESCCCCCOC(=O)c1ccc(NC(=O)c2cccc3ccccc23)cc1
InChIInChI=1S/C23H23NO3/c1-2-3-6-16-27-23(26)18-12-14-19(15-13-18)24-22(25)21-11-7-9-17-8-4-5-10-20(17)21/h4-5,7-15H,2-3,6,16H2,1H3,(H,24,25)
InChIKeyRDKRAXRZSBPMAR-UHFFFAOYSA-N
MW361.44 g/mol
LogP5.44
Rot. Bonds7

About pentyl 4-(naphthalene-1-carbonylamino)benzoate

pentyl 4-(naphthalene-1-carbonylamino)benzoate (PubChem CID 19203532) has the molecular formula C23H23NO3 and a molecular weight of 361.44 g/mol. Its IUPAC name is pentyl 4-(naphthalene-1-carbonylamino)benzoate.

Molecular Properties

Compound Namepentyl 4-(naphthalene-1-carbonylamino)benzoate
PubChem CID19203532
Molecular FormulaC23H23NO3
Molecular Weight361.44 g/mol
Exact Mass361.17
IUPAC Namepentyl 4-(naphthalene-1-carbonylamino)benzoate
SMILESCCCCCOC(=O)c1ccc(NC(=O)c2cccc3ccccc23)cc1
InChIInChI=1S/C23H23NO3/c1-2-3-6-16-27-23(26)18-12-14-19(15-13-18)24-22(25)21-11-7-9-17-8-4-5-10-20(17)21/h4-5,7-15H,2-3,6,16H2,1H3,(H,24,25)
InChIKeyRDKRAXRZSBPMAR-UHFFFAOYSA-N
XLogP5.44
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.44
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-hexoxycarbonylphenyl)carbamoyl]benzoate
CID 3544823
tetradecyl 2-(phenylcarbamoyl)naphthalene-1-carboxylate
CID 163647049
butyl 4-[[2,2,2-trichloro-1-(naphthalene-1-carbonylamino)ethyl]amino]benzoate
CID 3103402
butyl 4-[(3-methoxynaphthalene-2-carbonyl)amino]benzoate
CID 43909390
azane;dodecyl naphthalene-1-carboxylate
CID 172795658
2-[4-[(2,3-dioctoxybenzoyl)amino]benzoyl]oxyethyl-diethyl-methylazanium;methanol
CID 154676468
diethyl-[2-[4-[(3-fluoro-2-octoxybenzoyl)amino]benzoyl]oxyethyl]-methylazanium bromide
CID 154676379
diethyl-methyl-[2-[4-[(2-undecoxybenzoyl)amino]benzoyl]oxyethyl]azanium
CID 154676358
methyl 4-[(2-pentoxybenzoyl)amino]benzoate
CID 4946584
decyl 2-[[4-[(2-decoxycarbonylbenzoyl)amino]phenyl]carbamoyl]benzoate;bis(prop-1-yne)
CID 159227146
pentyl 4-[(4-hexoxybenzoyl)amino]benzoate
CID 19170775
diethyl-[2-[4-[(2-hexoxybenzoyl)amino]benzoyl]oxyethyl]-methylazanium;methanol
CID 154676436

Frequently Asked Questions

What is the IUPAC name of pentyl 4-(naphthalene-1-carbonylamino)benzoate?
The IUPAC name of pentyl 4-(naphthalene-1-carbonylamino)benzoate (CID 19203532) is pentyl 4-(naphthalene-1-carbonylamino)benzoate.
What is the SMILES notation for pentyl 4-(naphthalene-1-carbonylamino)benzoate?
The canonical SMILES for pentyl 4-(naphthalene-1-carbonylamino)benzoate is CCCCCOC(=O)c1ccc(NC(=O)c2cccc3ccccc23)cc1.
What is the InChIKey of pentyl 4-(naphthalene-1-carbonylamino)benzoate?
The InChIKey is RDKRAXRZSBPMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO3/c1-2-3-6-16-27-23(26)18-12-14-19(15-13-18)24-22(25)21-11-7-9-17-8-4-5-10-20(17)21/h4-5,7-15H,2-3,6,16H2,1H3,(H,24,25).
What are the key properties of pentyl 4-(naphthalene-1-carbonylamino)benzoate?
pentyl 4-(naphthalene-1-carbonylamino)benzoate has a molecular weight of 361.44 g/mol, XLogP of 5.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl 4-(naphthalene-1-carbonylamino)benzoate is sourced from PubChem (CID 19203532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).