2-[benzyl(methyl)amino]ethyl N-(4-chlorophenyl)carbamate

C17H19ClN2O2 — CID 24836409

IUPAC2-[benzyl(methyl)amino]ethyl N-(4-chlorophenyl)carbamate
SMILESCN(CCOC(=O)Nc1ccc(Cl)cc1)Cc1ccccc1
InChIInChI=1S/C17H19ClN2O2/c1-20(13-14-5-3-2-4-6-14)11-12-22-17(21)19-16-9-7-15(18)8-10-16/h2-10H,11-13H2,1H3,(H,19,21)
InChIKeyXZWNEZFAMXDTFB-UHFFFAOYSA-N
MW318.80 g/mol
LogP4.02
Rot. Bonds6

About 2-[benzyl(methyl)amino]ethyl N-(4-chlorophenyl)carbamate

2-[benzyl(methyl)amino]ethyl N-(4-chlorophenyl)carbamate (PubChem CID 24836409) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]ethyl N-(4-chlorophenyl)carbamate.

Molecular Properties

Compound Name2-[benzyl(methyl)amino]ethyl N-(4-chlorophenyl)carbamate
PubChem CID24836409
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name2-[benzyl(methyl)amino]ethyl N-(4-chlorophenyl)carbamate
SMILESCN(CCOC(=O)Nc1ccc(Cl)cc1)Cc1ccccc1
InChIInChI=1S/C17H19ClN2O2/c1-20(13-14-5-3-2-4-6-14)11-12-22-17(21)19-16-9-7-15(18)8-10-16/h2-10H,11-13H2,1H3,(H,19,21)
InChIKeyXZWNEZFAMXDTFB-UHFFFAOYSA-N
XLogP4.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[benzyl(methyl)amino]-N-(4-chlorophenyl)propanamide
CID 882844
1-[3-[benzyl(methyl)amino]propyl]-3-(4-chlorophenyl)urea
CID 46647437
(4-chlorophenyl)methyl N-[4-[[methyl-[2-(methylamino)-2-oxoethyl]amino]methyl]phenyl]carbamate
CID 171824737
2-[(4-chlorophenyl)methyl-methylamino]ethyl 3-oxobutanoate
CID 12529177
2-[methyl(pentyl)amino]ethyl N-[4-[2-[methyl(pentyl)amino]ethoxycarbonylamino]phenyl]carbamate
CID 139956615
2-[methyl(tetradecyl)amino]ethyl N-[4-[2-[methyl(tetradecyl)amino]ethoxycarbonylamino]phenyl]carbamate
CID 139952492
2-[decyl(methyl)amino]ethyl N-[4-[2-[decyl(methyl)amino]ethoxycarbonylamino]phenyl]carbamate
CID 139952468
(2E)-N'-(4-chlorophenyl)-2-[dimethylamino(ethoxy)methylidene]-N-phenylpropanediamide
CID 134921217
N-(4-chlorophenyl)-2-[methyl(3-phenoxypropyl)amino]acetamide
CID 9040068
N-(4-acetamidophenyl)-3-[benzyl(methyl)amino]propanamide
CID 109020641
N-(4-chlorophenyl)-3-[methyl(3-phenylpropyl)amino]propanamide
CID 55850747
1-benzyl-3-(4-chlorophenyl)-1-(2-methoxyethyl)thiourea
CID 2521922

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methyl)amino]ethyl N-(4-chlorophenyl)carbamate?
The IUPAC name of 2-[benzyl(methyl)amino]ethyl N-(4-chlorophenyl)carbamate (CID 24836409) is 2-[benzyl(methyl)amino]ethyl N-(4-chlorophenyl)carbamate.
What is the SMILES notation for 2-[benzyl(methyl)amino]ethyl N-(4-chlorophenyl)carbamate?
The canonical SMILES for 2-[benzyl(methyl)amino]ethyl N-(4-chlorophenyl)carbamate is CN(CCOC(=O)Nc1ccc(Cl)cc1)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(methyl)amino]ethyl N-(4-chlorophenyl)carbamate?
The InChIKey is XZWNEZFAMXDTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c1-20(13-14-5-3-2-4-6-14)11-12-22-17(21)19-16-9-7-15(18)8-10-16/h2-10H,11-13H2,1H3,(H,19,21).
What are the key properties of 2-[benzyl(methyl)amino]ethyl N-(4-chlorophenyl)carbamate?
2-[benzyl(methyl)amino]ethyl N-(4-chlorophenyl)carbamate has a molecular weight of 318.80 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methyl)amino]ethyl N-(4-chlorophenyl)carbamate is sourced from PubChem (CID 24836409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).