2-ethylhexyl N-naphthalen-1-ylcarbamate

C19H25NO2 — CID 15066270

IUPAC2-ethylhexyl N-naphthalen-1-ylcarbamate
SMILESCCCCC(CC)COC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C19H25NO2/c1-3-5-9-15(4-2)14-22-19(21)20-18-13-8-11-16-10-6-7-12-17(16)18/h6-8,10-13,15H,3-5,9,14H2,1-2H3,(H,20,21)
InChIKeyKTSQSAQISUJCGT-UHFFFAOYSA-N
MW299.41 g/mol
LogP5.60
Rot. Bonds7

About 2-ethylhexyl N-naphthalen-1-ylcarbamate

2-ethylhexyl N-naphthalen-1-ylcarbamate (PubChem CID 15066270) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is 2-ethylhexyl N-naphthalen-1-ylcarbamate.

Molecular Properties

Compound Name2-ethylhexyl N-naphthalen-1-ylcarbamate
PubChem CID15066270
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name2-ethylhexyl N-naphthalen-1-ylcarbamate
SMILESCCCCC(CC)COC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C19H25NO2/c1-3-5-9-15(4-2)14-22-19(21)20-18-13-8-11-16-10-6-7-12-17(16)18/h6-8,10-13,15H,3-5,9,14H2,1-2H3,(H,20,21)
InChIKeyKTSQSAQISUJCGT-UHFFFAOYSA-N
XLogP5.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.41
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-ethylhexyl N-naphthalen-1-ylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethyl-N-naphthalen-1-ylhexanamide
CID 3580350
[(2S)-2-phenylpropyl] N-naphthalen-1-ylcarbamate
CID 102238094
2-ethylhexyl 3-(2-methylanilino)propanoate
CID 15918765
(2R)-2-[[(2R)-2-ethylhexyl]azaniumyl]-4-(naphthalen-1-ylamino)-4-oxobutanoate
CID 7591511
sodium;2-ethylhexyl N-(2-ethylhexyl)carbamate;hydride
CID 175143259
2-ethylhexyl N-(2-indol-1-ylethyl)carbamate
CID 108726422
2-ethylhexyl N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]carbamate
CID 108748714
bis(2-ethylhexyl) benzene-1,2-dicarboxylate;tetramethylsilane
CID 67644728
2-[[4-(naphthalen-1-ylamino)-4-oxobutanoyl]amino]hexanoic acid
CID 175969260
2-methyl-N-naphthalen-1-ylpentanamide
CID 112762783
bis[(2S)-2-ethylhexyl] furan-2,5-dicarboxylate
CID 137368086
2-ethylhexyl N-[3-[2-(dimethylamino)ethoxycarbonylamino]-4-methylphenyl]carbamate
CID 6437504

Frequently Asked Questions

What is the IUPAC name of 2-ethylhexyl N-naphthalen-1-ylcarbamate?
The IUPAC name of 2-ethylhexyl N-naphthalen-1-ylcarbamate (CID 15066270) is 2-ethylhexyl N-naphthalen-1-ylcarbamate.
What is the SMILES notation for 2-ethylhexyl N-naphthalen-1-ylcarbamate?
The canonical SMILES for 2-ethylhexyl N-naphthalen-1-ylcarbamate is CCCCC(CC)COC(=O)Nc1cccc2ccccc12.
What is the InChIKey of 2-ethylhexyl N-naphthalen-1-ylcarbamate?
The InChIKey is KTSQSAQISUJCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-3-5-9-15(4-2)14-22-19(21)20-18-13-8-11-16-10-6-7-12-17(16)18/h6-8,10-13,15H,3-5,9,14H2,1-2H3,(H,20,21).
What are the key properties of 2-ethylhexyl N-naphthalen-1-ylcarbamate?
2-ethylhexyl N-naphthalen-1-ylcarbamate has a molecular weight of 299.41 g/mol, XLogP of 5.60, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexyl N-naphthalen-1-ylcarbamate is sourced from PubChem (CID 15066270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).