[2-(dimethylcarbamoyloxy)-3-propylphenyl] N,N-dimethylcarbamate

C15H22N2O4 — CID 24836204

IUPAC[2-(dimethylcarbamoyloxy)-3-propylphenyl] N,N-dimethylcarbamate
SMILESCCCc1cccc(OC(=O)N(C)C)c1OC(=O)N(C)C
InChIInChI=1S/C15H22N2O4/c1-6-8-11-9-7-10-12(20-14(18)16(2)3)13(11)21-15(19)17(4)5/h7,9-10H,6,8H2,1-5H3
InChIKeyZCKDTGHFGDAOAM-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.76
Rot. Bonds4

About [2-(dimethylcarbamoyloxy)-3-propylphenyl] N,N-dimethylcarbamate

[2-(dimethylcarbamoyloxy)-3-propylphenyl] N,N-dimethylcarbamate (PubChem CID 24836204) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is [2-(dimethylcarbamoyloxy)-3-propylphenyl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[2-(dimethylcarbamoyloxy)-3-propylphenyl] N,N-dimethylcarbamate
PubChem CID24836204
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name[2-(dimethylcarbamoyloxy)-3-propylphenyl] N,N-dimethylcarbamate
SMILESCCCc1cccc(OC(=O)N(C)C)c1OC(=O)N(C)C
InChIInChI=1S/C15H22N2O4/c1-6-8-11-9-7-10-12(20-14(18)16(2)3)13(11)21-15(19)17(4)5/h7,9-10H,6,8H2,1-5H3
InChIKeyZCKDTGHFGDAOAM-UHFFFAOYSA-N
XLogP2.76
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(dimethylcarbamoyloxy)-3-prop-2-enylphenyl] N,N-dimethylcarbamate
CID 24836202
(2-methoxy-6-propylphenyl) acetate
CID 170893292
[2-(dimethylcarbamoyloxy)-3-[(trimethylazaniumyl)methyl]phenyl]methyl-trimethylazanium
CID 135121841
[2,6-bis(prop-2-enyl)phenyl] N,N-dimethylcarbamate
CID 518063
[2-[[16-[[2-(dimethylcarbamoyloxy)phenyl]methyl-ethylamino]hexadecyl-ethylamino]methyl]phenyl] N,N-dimethylcarbamate
CID 57129302
(2-acetyloxy-3-dodecylphenyl) acetate
CID 140675695
bis(2-propylphenyl) carbonate
CID 66781525
(3-octyl-2-propanoyloxyphenyl) propanoate
CID 90024469
bromomethane;[2-[[10-[[2-(dimethylcarbamoyloxy)phenyl]methyl-ethylamino]decyl-ethylamino]methyl]phenyl] N,N-dimethylcarbamate
CID 70405503
(3-hexyl-2-octanoyloxyphenyl) octanoate
CID 90025044
(2-octanoyloxy-3-pentylphenyl) octanoate
CID 90031698
(2-heptanoyloxy-3-hexylphenyl) heptanoate
CID 90023843

Frequently Asked Questions

What is the IUPAC name of [2-(dimethylcarbamoyloxy)-3-propylphenyl] N,N-dimethylcarbamate?
The IUPAC name of [2-(dimethylcarbamoyloxy)-3-propylphenyl] N,N-dimethylcarbamate (CID 24836204) is [2-(dimethylcarbamoyloxy)-3-propylphenyl] N,N-dimethylcarbamate.
What is the SMILES notation for [2-(dimethylcarbamoyloxy)-3-propylphenyl] N,N-dimethylcarbamate?
The canonical SMILES for [2-(dimethylcarbamoyloxy)-3-propylphenyl] N,N-dimethylcarbamate is CCCc1cccc(OC(=O)N(C)C)c1OC(=O)N(C)C.
What is the InChIKey of [2-(dimethylcarbamoyloxy)-3-propylphenyl] N,N-dimethylcarbamate?
The InChIKey is ZCKDTGHFGDAOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-6-8-11-9-7-10-12(20-14(18)16(2)3)13(11)21-15(19)17(4)5/h7,9-10H,6,8H2,1-5H3.
What are the key properties of [2-(dimethylcarbamoyloxy)-3-propylphenyl] N,N-dimethylcarbamate?
[2-(dimethylcarbamoyloxy)-3-propylphenyl] N,N-dimethylcarbamate has a molecular weight of 294.35 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylcarbamoyloxy)-3-propylphenyl] N,N-dimethylcarbamate is sourced from PubChem (CID 24836204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).