2-(dimethylcarbamoylamino)ethyl N-(3-chlorophenyl)carbamate

C12H16ClN3O3 — CID 71675480

IUPAC2-(dimethylcarbamoylamino)ethyl N-(3-chlorophenyl)carbamate
SMILESCN(C)C(=O)NCCOC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C12H16ClN3O3/c1-16(2)11(17)14-6-7-19-12(18)15-10-5-3-4-9(13)8-10/h3-5,8H,6-7H2,1-2H3,(H,14,17)(H,15,18)
InChIKeyBDXITUUIZCAWDK-UHFFFAOYSA-N
MW285.73 g/mol
LogP2.16
Rot. Bonds4

About 2-(dimethylcarbamoylamino)ethyl N-(3-chlorophenyl)carbamate

2-(dimethylcarbamoylamino)ethyl N-(3-chlorophenyl)carbamate (PubChem CID 71675480) has the molecular formula C12H16ClN3O3 and a molecular weight of 285.73 g/mol. Its IUPAC name is 2-(dimethylcarbamoylamino)ethyl N-(3-chlorophenyl)carbamate.

Molecular Properties

Compound Name2-(dimethylcarbamoylamino)ethyl N-(3-chlorophenyl)carbamate
PubChem CID71675480
Molecular FormulaC12H16ClN3O3
Molecular Weight285.73 g/mol
Exact Mass285.09
IUPAC Name2-(dimethylcarbamoylamino)ethyl N-(3-chlorophenyl)carbamate
SMILESCN(C)C(=O)NCCOC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C12H16ClN3O3/c1-16(2)11(17)14-6-7-19-12(18)15-10-5-3-4-9(13)8-10/h3-5,8H,6-7H2,1-2H3,(H,14,17)(H,15,18)
InChIKeyBDXITUUIZCAWDK-UHFFFAOYSA-N
XLogP2.16
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(propylamino)ethyl N-(3-chlorophenyl)carbamate
CID 79337718
4-chlorobutyl N-(3-chlorophenyl)carbamate
CID 112683015
methyl N-(3-chlorophenyl)carbamate
CID 16529
[3-chloro-2,2-bis(chloromethyl)propyl] N-(3-chlorophenyl)carbamate
CID 819742
3-iodoprop-2-ynyl N-(3-chlorophenyl)carbamate
CID 14229860
2-(2-chlorophenoxy)ethyl N-(3-chlorophenyl)carbamate
CID 2244784
2-hydroxyethyl N-[3-(dimethylcarbamoyl)phenyl]carbamate
CID 79345340
2-[bis[2-[(3-chlorophenyl)carbamoyloxy]ethyl]azaniumyl]acetate
CID 27108720
2-[(5-cyano-2-pyridinyl)-methylamino]ethyl N-(3-chlorophenyl)carbamate
CID 2746224
2-(methylamino)ethyl N-(3-methylphenyl)carbamate
CID 79338222
benzene;4-chlorobut-2-ynyl N-(3-chlorophenyl)carbamate
CID 68619895
2-[(3-methylphenyl)carbamoyloxy]ethyl N-(3-methylphenyl)carbamate
CID 176596945

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylcarbamoylamino)ethyl N-(3-chlorophenyl)carbamate?
The IUPAC name of 2-(dimethylcarbamoylamino)ethyl N-(3-chlorophenyl)carbamate (CID 71675480) is 2-(dimethylcarbamoylamino)ethyl N-(3-chlorophenyl)carbamate.
What is the SMILES notation for 2-(dimethylcarbamoylamino)ethyl N-(3-chlorophenyl)carbamate?
The canonical SMILES for 2-(dimethylcarbamoylamino)ethyl N-(3-chlorophenyl)carbamate is CN(C)C(=O)NCCOC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 2-(dimethylcarbamoylamino)ethyl N-(3-chlorophenyl)carbamate?
The InChIKey is BDXITUUIZCAWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O3/c1-16(2)11(17)14-6-7-19-12(18)15-10-5-3-4-9(13)8-10/h3-5,8H,6-7H2,1-2H3,(H,14,17)(H,15,18).
What are the key properties of 2-(dimethylcarbamoylamino)ethyl N-(3-chlorophenyl)carbamate?
2-(dimethylcarbamoylamino)ethyl N-(3-chlorophenyl)carbamate has a molecular weight of 285.73 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylcarbamoylamino)ethyl N-(3-chlorophenyl)carbamate is sourced from PubChem (CID 71675480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).