ethyl N-cyclohexyl-N-[cyclohexyl(ethoxycarbonyl)carbamoyl]carbamate

C19H32N2O5 — CID 152645374

IUPACethyl N-cyclohexyl-N-[cyclohexyl(ethoxycarbonyl)carbamoyl]carbamate
SMILESCCOC(=O)N(C(=O)N(C(=O)OCC)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C19H32N2O5/c1-3-25-18(23)20(15-11-7-5-8-12-15)17(22)21(19(24)26-4-2)16-13-9-6-10-14-16/h15-16H,3-14H2,1-2H3
InChIKeyZGKUTMIACMUDAB-UHFFFAOYSA-N
MW368.47 g/mol
LogP4.69
Rot. Bonds4

About ethyl N-cyclohexyl-N-[cyclohexyl(ethoxycarbonyl)carbamoyl]carbamate

ethyl N-cyclohexyl-N-[cyclohexyl(ethoxycarbonyl)carbamoyl]carbamate (PubChem CID 152645374) has the molecular formula C19H32N2O5 and a molecular weight of 368.47 g/mol. Its IUPAC name is ethyl N-cyclohexyl-N-[cyclohexyl(ethoxycarbonyl)carbamoyl]carbamate.

Molecular Properties

Compound Nameethyl N-cyclohexyl-N-[cyclohexyl(ethoxycarbonyl)carbamoyl]carbamate
PubChem CID152645374
Molecular FormulaC19H32N2O5
Molecular Weight368.47 g/mol
Exact Mass368.23
IUPAC Nameethyl N-cyclohexyl-N-[cyclohexyl(ethoxycarbonyl)carbamoyl]carbamate
SMILESCCOC(=O)N(C(=O)N(C(=O)OCC)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C19H32N2O5/c1-3-25-18(23)20(15-11-7-5-8-12-15)17(22)21(19(24)26-4-2)16-13-9-6-10-14-16/h15-16H,3-14H2,1-2H3
InChIKeyZGKUTMIACMUDAB-UHFFFAOYSA-N
XLogP4.69
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-N-propanoylpropanamide
CID 89181027
N-cyclohexyl-N-[cyclohexyl-[2-(methylamino)acetyl]carbamoyl]-2-(methylamino)acetamide
CID 169227068
ethyl N-cyclohexyl-N-octadecoxycarbamate
CID 149251240
ethyl cyclohexanecarboxylate;hydrochloride
CID 68985516
ethyl 3-[cyclohexyl(ethoxycarbonyl)amino]-4,4-dimethylpentanoate
CID 134521175
ethoxymethanethioic S-acid;methylcyclohexane
CID 142164305
ethyl N-cyclohexyl-N-(3-ethylthiophen-2-yl)carbamate
CID 150920744
chloromethyl N-cyclohexyl-N-ethylcarbamate
CID 66648792
trans-ethyl (1S,2S)-2-methylcyclohexane-1-carboxylate
CID 28766550
ethyl 2-methylcyclopentane-1-carboxylate
CID 10844634
butyl N,N-dicyclohexylcarbamate
CID 13416417
ethyl N-(2-aminocyclohexyl)-N-methylcarbamate
CID 102639245

Frequently Asked Questions

What is the IUPAC name of ethyl N-cyclohexyl-N-[cyclohexyl(ethoxycarbonyl)carbamoyl]carbamate?
The IUPAC name of ethyl N-cyclohexyl-N-[cyclohexyl(ethoxycarbonyl)carbamoyl]carbamate (CID 152645374) is ethyl N-cyclohexyl-N-[cyclohexyl(ethoxycarbonyl)carbamoyl]carbamate.
What is the SMILES notation for ethyl N-cyclohexyl-N-[cyclohexyl(ethoxycarbonyl)carbamoyl]carbamate?
The canonical SMILES for ethyl N-cyclohexyl-N-[cyclohexyl(ethoxycarbonyl)carbamoyl]carbamate is CCOC(=O)N(C(=O)N(C(=O)OCC)C1CCCCC1)C1CCCCC1.
What is the InChIKey of ethyl N-cyclohexyl-N-[cyclohexyl(ethoxycarbonyl)carbamoyl]carbamate?
The InChIKey is ZGKUTMIACMUDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O5/c1-3-25-18(23)20(15-11-7-5-8-12-15)17(22)21(19(24)26-4-2)16-13-9-6-10-14-16/h15-16H,3-14H2,1-2H3.
What are the key properties of ethyl N-cyclohexyl-N-[cyclohexyl(ethoxycarbonyl)carbamoyl]carbamate?
ethyl N-cyclohexyl-N-[cyclohexyl(ethoxycarbonyl)carbamoyl]carbamate has a molecular weight of 368.47 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-cyclohexyl-N-[cyclohexyl(ethoxycarbonyl)carbamoyl]carbamate is sourced from PubChem (CID 152645374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).