[2-(diethylcarbamoyl)phenyl] N,N-dimethylcarbamate

C14H20N2O3 — CID 122517571

IUPAC[2-(diethylcarbamoyl)phenyl] N,N-dimethylcarbamate
SMILESCCN(CC)C(=O)c1ccccc1OC(=O)N(C)C
InChIInChI=1S/C14H20N2O3/c1-5-16(6-2)13(17)11-9-7-8-10-12(11)19-14(18)15(3)4/h7-10H,5-6H2,1-4H3
InChIKeyKCJVOUWJFAHJMA-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.23
Rot. Bonds4

About [2-(diethylcarbamoyl)phenyl] N,N-dimethylcarbamate

[2-(diethylcarbamoyl)phenyl] N,N-dimethylcarbamate (PubChem CID 122517571) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is [2-(diethylcarbamoyl)phenyl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[2-(diethylcarbamoyl)phenyl] N,N-dimethylcarbamate
PubChem CID122517571
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name[2-(diethylcarbamoyl)phenyl] N,N-dimethylcarbamate
SMILESCCN(CC)C(=O)c1ccccc1OC(=O)N(C)C
InChIInChI=1S/C14H20N2O3/c1-5-16(6-2)13(17)11-9-7-8-10-12(11)19-14(18)15(3)4/h7-10H,5-6H2,1-4H3
InChIKeyKCJVOUWJFAHJMA-UHFFFAOYSA-N
XLogP2.23
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(diethylcarbamoyl)phenyl] N,N-dipropylcarbamate
CID 122517572
2-(chloromethoxy)-N,N-diethylbenzamide;hydrochloride
CID 173020221
benzoyl 2-(dimethylcarbamoyloxy)benzenecarboperoxoate
CID 53244935
N,N-diethyl-2-[[4-(hydroxymethyl)phenyl]methoxy]benzamide
CID 141451288
2-[(2-chlorophenyl)methoxy]-N,N-diethylbenzamide
CID 13073609
2-[(2-bromophenyl)methoxy]-N,N-diethylbenzamide
CID 112762956
N-(2-chloroethyl)-N-ethyl-2-methoxybenzamide
CID 63395082
CID 59369605
CID 59369605
N,N-diethyl-2-[(S)-hydroxy(phenyl)methyl]benzamide
CID 129385502
2-acetyl-N,N-diethyl-3-methoxybenzamide
CID 19802545
[4-tert-butyl-2-(diethylcarbamoyl)phenyl] N,N-diethylcarbamate
CID 122517612
N-(2-chloroethyl)-2-ethoxy-N-ethylbenzamide
CID 63395258

Frequently Asked Questions

What is the IUPAC name of [2-(diethylcarbamoyl)phenyl] N,N-dimethylcarbamate?
The IUPAC name of [2-(diethylcarbamoyl)phenyl] N,N-dimethylcarbamate (CID 122517571) is [2-(diethylcarbamoyl)phenyl] N,N-dimethylcarbamate.
What is the SMILES notation for [2-(diethylcarbamoyl)phenyl] N,N-dimethylcarbamate?
The canonical SMILES for [2-(diethylcarbamoyl)phenyl] N,N-dimethylcarbamate is CCN(CC)C(=O)c1ccccc1OC(=O)N(C)C.
What is the InChIKey of [2-(diethylcarbamoyl)phenyl] N,N-dimethylcarbamate?
The InChIKey is KCJVOUWJFAHJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-5-16(6-2)13(17)11-9-7-8-10-12(11)19-14(18)15(3)4/h7-10H,5-6H2,1-4H3.
What are the key properties of [2-(diethylcarbamoyl)phenyl] N,N-dimethylcarbamate?
[2-(diethylcarbamoyl)phenyl] N,N-dimethylcarbamate has a molecular weight of 264.32 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(diethylcarbamoyl)phenyl] N,N-dimethylcarbamate is sourced from PubChem (CID 122517571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).