tetradecyl 2-(phenylcarbamoyl)naphthalene-1-carboxylate

C32H41NO3 — CID 163647049

IUPACtetradecyl 2-(phenylcarbamoyl)naphthalene-1-carboxylate
SMILESCCCCCCCCCCCCCCOC(=O)c1c(C(=O)Nc2ccccc2)ccc2ccccc12
InChIInChI=1S/C32H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-18-25-36-32(35)30-28-22-17-16-19-26(28)23-24-29(30)31(34)33-27-20-14-13-15-21-27/h13-17,19-24H,2-12,18,25H2,1H3,(H,33,34)
InChIKeyIJCVTVYFMMIKEY-UHFFFAOYSA-N
MW487.68 g/mol
LogP8.95
Rot. Bonds16

About tetradecyl 2-(phenylcarbamoyl)naphthalene-1-carboxylate

tetradecyl 2-(phenylcarbamoyl)naphthalene-1-carboxylate (PubChem CID 163647049) has the molecular formula C32H41NO3 and a molecular weight of 487.68 g/mol. Its IUPAC name is tetradecyl 2-(phenylcarbamoyl)naphthalene-1-carboxylate.

Molecular Properties

Compound Nametetradecyl 2-(phenylcarbamoyl)naphthalene-1-carboxylate
PubChem CID163647049
Molecular FormulaC32H41NO3
Molecular Weight487.68 g/mol
Exact Mass487.31
IUPAC Nametetradecyl 2-(phenylcarbamoyl)naphthalene-1-carboxylate
SMILESCCCCCCCCCCCCCCOC(=O)c1c(C(=O)Nc2ccccc2)ccc2ccccc12
InChIInChI=1S/C32H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-18-25-36-32(35)30-28-22-17-16-19-26(28)23-24-29(30)31(34)33-27-20-14-13-15-21-27/h13-17,19-24H,2-12,18,25H2,1H3,(H,33,34)
InChIKeyIJCVTVYFMMIKEY-UHFFFAOYSA-N
XLogP8.95
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.68
LogP ≤ 58.95
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

pentyl 4-(naphthalene-1-carbonylamino)benzoate
CID 19203532
tetradecyl 1-hydroxynaphthalene-2-carboxylate
CID 141232785
octadecyl 1-hydroxynaphthalene-2-carboxylate
CID 141232786
dodecyl N-phenylcarbamate
CID 521818
decyl 2-[[4-[(2-decoxycarbonylbenzoyl)amino]phenyl]carbamoyl]benzoate;bis(prop-1-yne)
CID 159227146
azane;dodecyl naphthalene-1-carboxylate
CID 172795658
4-hexoxy-1-methyl-N-phenylnaphthalene-2-carboxamide
CID 71169812
2-[(4-hexoxycarbonylphenyl)carbamoyl]benzoate
CID 3544823
tetraoctyl benzene-1,2,3,4-tetracarboxylate
CID 68783223
CID 172705473
CID 172705473
benzene;ditridecyl benzene-1,2-dicarboxylate
CID 141316421
tetraundecyl benzene-1,2,3,4-tetracarboxylate
CID 141409401

Frequently Asked Questions

What is the IUPAC name of tetradecyl 2-(phenylcarbamoyl)naphthalene-1-carboxylate?
The IUPAC name of tetradecyl 2-(phenylcarbamoyl)naphthalene-1-carboxylate (CID 163647049) is tetradecyl 2-(phenylcarbamoyl)naphthalene-1-carboxylate.
What is the SMILES notation for tetradecyl 2-(phenylcarbamoyl)naphthalene-1-carboxylate?
The canonical SMILES for tetradecyl 2-(phenylcarbamoyl)naphthalene-1-carboxylate is CCCCCCCCCCCCCCOC(=O)c1c(C(=O)Nc2ccccc2)ccc2ccccc12.
What is the InChIKey of tetradecyl 2-(phenylcarbamoyl)naphthalene-1-carboxylate?
The InChIKey is IJCVTVYFMMIKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-18-25-36-32(35)30-28-22-17-16-19-26(28)23-24-29(30)31(34)33-27-20-14-13-15-21-27/h13-17,19-24H,2-12,18,25H2,1H3,(H,33,34).
What are the key properties of tetradecyl 2-(phenylcarbamoyl)naphthalene-1-carboxylate?
tetradecyl 2-(phenylcarbamoyl)naphthalene-1-carboxylate has a molecular weight of 487.68 g/mol, XLogP of 8.95, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tetradecyl 2-(phenylcarbamoyl)naphthalene-1-carboxylate is sourced from PubChem (CID 163647049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).