3-phenylbutyl N-[2-(2-chlorophenyl)ethyl]carbamate

C19H22ClNO2 — CID 6734048

IUPAC3-phenylbutyl N-[2-(2-chlorophenyl)ethyl]carbamate
SMILESCC(CCOC(=O)NCCc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C19H22ClNO2/c1-15(16-7-3-2-4-8-16)12-14-23-19(22)21-13-11-17-9-5-6-10-18(17)20/h2-10,15H,11-14H2,1H3,(H,21,22)
InChIKeyMTOKSYOFJVEHPR-UHFFFAOYSA-N
MW331.84 g/mol
LogP4.80
Rot. Bonds7

About 3-phenylbutyl N-[2-(2-chlorophenyl)ethyl]carbamate

3-phenylbutyl N-[2-(2-chlorophenyl)ethyl]carbamate (PubChem CID 6734048) has the molecular formula C19H22ClNO2 and a molecular weight of 331.84 g/mol. Its IUPAC name is 3-phenylbutyl N-[2-(2-chlorophenyl)ethyl]carbamate.

Molecular Properties

Compound Name3-phenylbutyl N-[2-(2-chlorophenyl)ethyl]carbamate
PubChem CID6734048
Molecular FormulaC19H22ClNO2
Molecular Weight331.84 g/mol
Exact Mass331.13
IUPAC Name3-phenylbutyl N-[2-(2-chlorophenyl)ethyl]carbamate
SMILESCC(CCOC(=O)NCCc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C19H22ClNO2/c1-15(16-7-3-2-4-8-16)12-14-23-19(22)21-13-11-17-9-5-6-10-18(17)20/h2-10,15H,11-14H2,1H3,(H,21,22)
InChIKeyMTOKSYOFJVEHPR-UHFFFAOYSA-N
XLogP4.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.84
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-phenylbutyl N-(2-acetamidoethyl)carbamate
CID 6734518
(2S)-2-amino-N-[2-(2-chlorophenyl)ethyl]propanamide
CID 94684847
[(3R)-3-phenylbutyl] acetate
CID 12598598
1-[2-(2-chlorophenyl)ethyl]-3-(2-methylpropyl)urea
CID 108867353
tert-butyl N-[2-[2-(2-chlorophenyl)ethylcarbamoylamino]ethyl]carbamate
CID 108864598
3-amino-N-[2-(2,3-dichlorophenyl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119736260
2-phenylpropyl N-[2-(4-hydroxyphenyl)ethyl]carbamate
CID 6737224
2-(2-chlorophenyl)ethyl N-[(2-methoxyphenyl)methyl]carbamate
CID 6735895
methyl 3-[[N-[2-(2-chlorophenyl)ethyl]-N'-methylcarbamimidoyl]amino]-2-methylpropanoate
CID 111883231
3-amino-N-[2-(2-chlorophenyl)ethyl]propanamide
CID 94684846
N-[2-[2-(2-chlorophenyl)ethylcarbamoylamino]ethyl]acetamide
CID 47448428
propyl N-[(2S)-3-(2-chlorophenyl)-2-hydroxypropyl]carbamate
CID 174972525

Frequently Asked Questions

What is the IUPAC name of 3-phenylbutyl N-[2-(2-chlorophenyl)ethyl]carbamate?
The IUPAC name of 3-phenylbutyl N-[2-(2-chlorophenyl)ethyl]carbamate (CID 6734048) is 3-phenylbutyl N-[2-(2-chlorophenyl)ethyl]carbamate.
What is the SMILES notation for 3-phenylbutyl N-[2-(2-chlorophenyl)ethyl]carbamate?
The canonical SMILES for 3-phenylbutyl N-[2-(2-chlorophenyl)ethyl]carbamate is CC(CCOC(=O)NCCc1ccccc1Cl)c1ccccc1.
What is the InChIKey of 3-phenylbutyl N-[2-(2-chlorophenyl)ethyl]carbamate?
The InChIKey is MTOKSYOFJVEHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO2/c1-15(16-7-3-2-4-8-16)12-14-23-19(22)21-13-11-17-9-5-6-10-18(17)20/h2-10,15H,11-14H2,1H3,(H,21,22).
What are the key properties of 3-phenylbutyl N-[2-(2-chlorophenyl)ethyl]carbamate?
3-phenylbutyl N-[2-(2-chlorophenyl)ethyl]carbamate has a molecular weight of 331.84 g/mol, XLogP of 4.80, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylbutyl N-[2-(2-chlorophenyl)ethyl]carbamate is sourced from PubChem (CID 6734048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).