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

C18H28N2O3 — CID 122517572

IUPAC[2-(diethylcarbamoyl)phenyl] N,N-dipropylcarbamate
SMILESCCCN(CCC)C(=O)Oc1ccccc1C(=O)N(CC)CC
InChIInChI=1S/C18H28N2O3/c1-5-13-20(14-6-2)18(22)23-16-12-10-9-11-15(16)17(21)19(7-3)8-4/h9-12H,5-8,13-14H2,1-4H3
InChIKeyFDBAQTCKUXYZIG-UHFFFAOYSA-N
MW320.43 g/mol
LogP3.79
Rot. Bonds8

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

[2-(diethylcarbamoyl)phenyl] N,N-dipropylcarbamate (PubChem CID 122517572) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is [2-(diethylcarbamoyl)phenyl] N,N-dipropylcarbamate.

Molecular Properties

Compound Name[2-(diethylcarbamoyl)phenyl] N,N-dipropylcarbamate
PubChem CID122517572
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name[2-(diethylcarbamoyl)phenyl] N,N-dipropylcarbamate
SMILESCCCN(CCC)C(=O)Oc1ccccc1C(=O)N(CC)CC
InChIInChI=1S/C18H28N2O3/c1-5-13-20(14-6-2)18(22)23-16-12-10-9-11-15(16)17(21)19(7-3)8-4/h9-12H,5-8,13-14H2,1-4H3
InChIKeyFDBAQTCKUXYZIG-UHFFFAOYSA-N
XLogP3.79
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(diethylcarbamoyl)phenyl] N,N-dimethylcarbamate
CID 122517571
N-ethyl-2-hydrazinyl-N-propylbenzamide
CID 62243548
2-(chloromethoxy)-N,N-diethylbenzamide;hydrochloride
CID 173020221
N-(2-chloroethyl)-N-ethyl-2-methoxybenzamide
CID 63395082
N-(2-chloroethyl)-2-ethoxy-N-ethylbenzamide
CID 63395258
[4-tert-butyl-2-(diethylcarbamoyl)phenyl] N,N-diethylcarbamate
CID 122517612
2-[(4-fluorophenyl)methoxy]-N,N-dipropylbenzamide
CID 13073631
N,N-diethyl-2-[[4-(hydroxymethyl)phenyl]methoxy]benzamide
CID 141451288
(2,3-dihydroxyphenyl) N,N-diethylcarbamate
CID 131845695
2-amino-N,N-dipropylbenzamide
CID 16769117
N,N-diethyl-2-(propylamino)benzamide
CID 62171276
2-[(2-bromophenyl)methoxy]-N,N-diethylbenzamide
CID 112762956

Frequently Asked Questions

What is the IUPAC name of [2-(diethylcarbamoyl)phenyl] N,N-dipropylcarbamate?
The IUPAC name of [2-(diethylcarbamoyl)phenyl] N,N-dipropylcarbamate (CID 122517572) is [2-(diethylcarbamoyl)phenyl] N,N-dipropylcarbamate.
What is the SMILES notation for [2-(diethylcarbamoyl)phenyl] N,N-dipropylcarbamate?
The canonical SMILES for [2-(diethylcarbamoyl)phenyl] N,N-dipropylcarbamate is CCCN(CCC)C(=O)Oc1ccccc1C(=O)N(CC)CC.
What is the InChIKey of [2-(diethylcarbamoyl)phenyl] N,N-dipropylcarbamate?
The InChIKey is FDBAQTCKUXYZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-5-13-20(14-6-2)18(22)23-16-12-10-9-11-15(16)17(21)19(7-3)8-4/h9-12H,5-8,13-14H2,1-4H3.
What are the key properties of [2-(diethylcarbamoyl)phenyl] N,N-dipropylcarbamate?
[2-(diethylcarbamoyl)phenyl] N,N-dipropylcarbamate has a molecular weight of 320.43 g/mol, XLogP of 3.79, 8 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-dipropylcarbamate is sourced from PubChem (CID 122517572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).