[3-(2-methylpropoxycarbonylamino)phenyl] N-cyclohexyl-N-methylcarbamate

C19H28N2O4 — CID 70477318

IUPAC[3-(2-methylpropoxycarbonylamino)phenyl] N-cyclohexyl-N-methylcarbamate
SMILESCC(C)COC(=O)Nc1cccc(OC(=O)N(C)C2CCCCC2)c1
InChIInChI=1S/C19H28N2O4/c1-14(2)13-24-18(22)20-15-8-7-11-17(12-15)25-19(23)21(3)16-9-5-4-6-10-16/h7-8,11-12,14,16H,4-6,9-10,13H2,1-3H3,(H,20,22)
InChIKeyCXTQHMLCUGLWJX-UHFFFAOYSA-N
MW348.44 g/mol
LogP4.65
Rot. Bonds5

About [3-(2-methylpropoxycarbonylamino)phenyl] N-cyclohexyl-N-methylcarbamate

[3-(2-methylpropoxycarbonylamino)phenyl] N-cyclohexyl-N-methylcarbamate (PubChem CID 70477318) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is [3-(2-methylpropoxycarbonylamino)phenyl] N-cyclohexyl-N-methylcarbamate.

Molecular Properties

Compound Name[3-(2-methylpropoxycarbonylamino)phenyl] N-cyclohexyl-N-methylcarbamate
PubChem CID70477318
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Name[3-(2-methylpropoxycarbonylamino)phenyl] N-cyclohexyl-N-methylcarbamate
SMILESCC(C)COC(=O)Nc1cccc(OC(=O)N(C)C2CCCCC2)c1
InChIInChI=1S/C19H28N2O4/c1-14(2)13-24-18(22)20-15-8-7-11-17(12-15)25-19(23)21(3)16-9-5-4-6-10-16/h7-8,11-12,14,16H,4-6,9-10,13H2,1-3H3,(H,20,22)
InChIKeyCXTQHMLCUGLWJX-UHFFFAOYSA-N
XLogP4.65
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylpropyl N-(3-fluorophenyl)carbamate
CID 15908281
[3-(2-methylpropoxycarbonylamino)phenyl] N-(2-ethoxyethyl)-N-phenylcarbamate
CID 154122641
2-methylpropyl N-cyclopentyl-N-methylcarbamate
CID 163485016
[3-[2-(prop-2-ynylamino)propyl]phenyl] N-cyclohexyl-N-methylcarbamate
CID 11068527
2-methylpropyl N-[3-(methylamino)phenyl]carbamate
CID 71219513
2-methylpropyl N-[3-[(2-methylcyclohexyl)carbamoylamino]phenyl]carbamate
CID 60586572
[3-[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]phenyl] N-cyclohexyl-N-methylcarbamate
CID 11825637
ethyl N-[3-(2-methylpropoxy)phenyl]carbamate
CID 60643144
2-methylpropyl N-[3-[[methyl-[[(2S)-oxolan-2-yl]methyl]carbamoyl]amino]phenyl]carbamate
CID 95259052
[3-[2-[methyl(prop-2-ynyl)amino]propyl]phenyl] N-cyclohexyl-N-methylcarbamate
CID 11188132
(4-phenoxyphenyl) N-cyclohexyl-N-methylcarbamate
CID 54188372
2-[[amino-(3-methoxyanilino)methylidene]amino]-N-cyclohexyl-N-methylacetamide
CID 119142445

Frequently Asked Questions

What is the IUPAC name of [3-(2-methylpropoxycarbonylamino)phenyl] N-cyclohexyl-N-methylcarbamate?
The IUPAC name of [3-(2-methylpropoxycarbonylamino)phenyl] N-cyclohexyl-N-methylcarbamate (CID 70477318) is [3-(2-methylpropoxycarbonylamino)phenyl] N-cyclohexyl-N-methylcarbamate.
What is the SMILES notation for [3-(2-methylpropoxycarbonylamino)phenyl] N-cyclohexyl-N-methylcarbamate?
The canonical SMILES for [3-(2-methylpropoxycarbonylamino)phenyl] N-cyclohexyl-N-methylcarbamate is CC(C)COC(=O)Nc1cccc(OC(=O)N(C)C2CCCCC2)c1.
What is the InChIKey of [3-(2-methylpropoxycarbonylamino)phenyl] N-cyclohexyl-N-methylcarbamate?
The InChIKey is CXTQHMLCUGLWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-14(2)13-24-18(22)20-15-8-7-11-17(12-15)25-19(23)21(3)16-9-5-4-6-10-16/h7-8,11-12,14,16H,4-6,9-10,13H2,1-3H3,(H,20,22).
What are the key properties of [3-(2-methylpropoxycarbonylamino)phenyl] N-cyclohexyl-N-methylcarbamate?
[3-(2-methylpropoxycarbonylamino)phenyl] N-cyclohexyl-N-methylcarbamate has a molecular weight of 348.44 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methylpropoxycarbonylamino)phenyl] N-cyclohexyl-N-methylcarbamate is sourced from PubChem (CID 70477318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).