ethyl N-(2-cyclohexylpropan-2-yloxycarbonyl)-N-(2-phenylethyl)carbamate

C21H31NO4 — CID 138598687

IUPACethyl N-(2-cyclohexylpropan-2-yloxycarbonyl)-N-(2-phenylethyl)carbamate
SMILESCCOC(=O)N(CCc1ccccc1)C(=O)OC(C)(C)C1CCCCC1
InChIInChI=1S/C21H31NO4/c1-4-25-19(23)22(16-15-17-11-7-5-8-12-17)20(24)26-21(2,3)18-13-9-6-10-14-18/h5,7-8,11-12,18H,4,6,9-10,13-16H2,1-3H3
InChIKeyNQDQVCRBGLYEPE-UHFFFAOYSA-N
MW361.48 g/mol
LogP5.18
Rot. Bonds6

About ethyl N-(2-cyclohexylpropan-2-yloxycarbonyl)-N-(2-phenylethyl)carbamate

ethyl N-(2-cyclohexylpropan-2-yloxycarbonyl)-N-(2-phenylethyl)carbamate (PubChem CID 138598687) has the molecular formula C21H31NO4 and a molecular weight of 361.48 g/mol. Its IUPAC name is ethyl N-(2-cyclohexylpropan-2-yloxycarbonyl)-N-(2-phenylethyl)carbamate.

Molecular Properties

Compound Nameethyl N-(2-cyclohexylpropan-2-yloxycarbonyl)-N-(2-phenylethyl)carbamate
PubChem CID138598687
Molecular FormulaC21H31NO4
Molecular Weight361.48 g/mol
Exact Mass361.23
IUPAC Nameethyl N-(2-cyclohexylpropan-2-yloxycarbonyl)-N-(2-phenylethyl)carbamate
SMILESCCOC(=O)N(CCc1ccccc1)C(=O)OC(C)(C)C1CCCCC1
InChIInChI=1S/C21H31NO4/c1-4-25-19(23)22(16-15-17-11-7-5-8-12-17)20(24)26-21(2,3)18-13-9-6-10-14-18/h5,7-8,11-12,18H,4,6,9-10,13-16H2,1-3H3
InChIKeyNQDQVCRBGLYEPE-UHFFFAOYSA-N
XLogP5.18
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.48
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-(2-cyclohexylpropan-2-yloxycarbonyl)-N-phenylcarbamate
CID 123933470
ethyl N-(2-phenylethyl)-N-propanoylcarbamate
CID 71095623
(3-cyclopentyl-3-methylbutyl)benzene
CID 102410017
ethyl N-(2-phenylethyl)-N-phenylmethoxycarbamate
CID 125470333
methyl 2-cyclohexyl-2-(dibenzylamino)propanoate
CID 174673383
benzyl carbamate;(1-ethoxy-2-methyl-1-oxo-4-phenylbutan-2-yl)-oxophosphanium
CID 173327424
3-O-benzyl 1-O-methyl 2,2-dicyclohexylpropanedioate
CID 175180069
N-cyclopentyl-N-(2-phenylethyl)butanamide
CID 78853681
methyl 2-(benzylamino)-2-cyclohexylpropanoate
CID 63320778
diethyl 2-amino-2-(2-phenylethyl)propanedioate
CID 142661399
N-cyclohexyl-N-ethyl-3-phenylpropanamide
CID 670110
ethyl 3-hydroxy-2,2,3-trimethyl-5-phenylpentanoate
CID 62398393

Frequently Asked Questions

What is the IUPAC name of ethyl N-(2-cyclohexylpropan-2-yloxycarbonyl)-N-(2-phenylethyl)carbamate?
The IUPAC name of ethyl N-(2-cyclohexylpropan-2-yloxycarbonyl)-N-(2-phenylethyl)carbamate (CID 138598687) is ethyl N-(2-cyclohexylpropan-2-yloxycarbonyl)-N-(2-phenylethyl)carbamate.
What is the SMILES notation for ethyl N-(2-cyclohexylpropan-2-yloxycarbonyl)-N-(2-phenylethyl)carbamate?
The canonical SMILES for ethyl N-(2-cyclohexylpropan-2-yloxycarbonyl)-N-(2-phenylethyl)carbamate is CCOC(=O)N(CCc1ccccc1)C(=O)OC(C)(C)C1CCCCC1.
What is the InChIKey of ethyl N-(2-cyclohexylpropan-2-yloxycarbonyl)-N-(2-phenylethyl)carbamate?
The InChIKey is NQDQVCRBGLYEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31NO4/c1-4-25-19(23)22(16-15-17-11-7-5-8-12-17)20(24)26-21(2,3)18-13-9-6-10-14-18/h5,7-8,11-12,18H,4,6,9-10,13-16H2,1-3H3.
What are the key properties of ethyl N-(2-cyclohexylpropan-2-yloxycarbonyl)-N-(2-phenylethyl)carbamate?
ethyl N-(2-cyclohexylpropan-2-yloxycarbonyl)-N-(2-phenylethyl)carbamate has a molecular weight of 361.48 g/mol, XLogP of 5.18, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(2-cyclohexylpropan-2-yloxycarbonyl)-N-(2-phenylethyl)carbamate is sourced from PubChem (CID 138598687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).