ethyl N-(cyclohexylmethyl)carbamate;molecular hydrogen

C10H21NO2 — CID 144717784

IUPACethyl N-(cyclohexylmethyl)carbamate;molecular hydrogen
SMILESCCOC(=O)NCC1CCCCC1.[H][H]
InChIInChI=1S/C10H19NO2.H2/c1-2-13-10(12)11-8-9-6-4-3-5-7-9;/h9H,2-8H2,1H3,(H,11,12);1H
InChIKeyCIUVQCMMUVILFR-UHFFFAOYSA-N
MW187.28 g/mol
LogP2.56
Rot. Bonds3

About ethyl N-(cyclohexylmethyl)carbamate;molecular hydrogen

ethyl N-(cyclohexylmethyl)carbamate;molecular hydrogen (PubChem CID 144717784) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is ethyl N-(cyclohexylmethyl)carbamate;molecular hydrogen.

Molecular Properties

Compound Nameethyl N-(cyclohexylmethyl)carbamate;molecular hydrogen
PubChem CID144717784
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Nameethyl N-(cyclohexylmethyl)carbamate;molecular hydrogen
SMILESCCOC(=O)NCC1CCCCC1.[H][H]
InChIInChI=1S/C10H19NO2.H2/c1-2-13-10(12)11-8-9-6-4-3-5-7-9;/h9H,2-8H2,1H3,(H,11,12);1H
InChIKeyCIUVQCMMUVILFR-UHFFFAOYSA-N
XLogP2.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

prop-2-enyl N-(cyclohexylmethyl)carbamate
CID 137320456
ethyl N-[(1,1-dioxothiolan-3-yl)methyl]carbamate
CID 3091624
ethyl 1-(cyclohexylmethylcarbamoyl)cyclobutane-1-carboxylate
CID 175632090
ethyl N-[(1,1-dioxothiolan-2-yl)methyl]carbamate
CID 81046471
1-(cyclobutylmethyl)-3-(cyclohexylmethyl)urea
CID 155200065
1-(cyclohexylmethylcarbamoyloxy)propyl butanoate
CID 68569190
acetic acid;2-(cyclohexylmethylcarbamoyloxy)propan-2-yl 2-methylpropanoate
CID 69176752
2-amino-N-(cyclohexylmethyl)propanamide
CID 43215382
ethyl N-[(2S)-1-cyclohexyl-3-oxopropan-2-yl]carbamate
CID 131720506
acetic acid;tert-butyl N-(cyclohexylmethyl)carbamate
CID 18446943
acetic acid;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-(cyclohexylmethyl)carbamate
CID 69176768
acetic acid;1-(cyclohexylmethylcarbamoyloxy)propyl acetate
CID 68798909

Frequently Asked Questions

What is the IUPAC name of ethyl N-(cyclohexylmethyl)carbamate;molecular hydrogen?
The IUPAC name of ethyl N-(cyclohexylmethyl)carbamate;molecular hydrogen (CID 144717784) is ethyl N-(cyclohexylmethyl)carbamate;molecular hydrogen.
What is the SMILES notation for ethyl N-(cyclohexylmethyl)carbamate;molecular hydrogen?
The canonical SMILES for ethyl N-(cyclohexylmethyl)carbamate;molecular hydrogen is CCOC(=O)NCC1CCCCC1.[H][H].
What is the InChIKey of ethyl N-(cyclohexylmethyl)carbamate;molecular hydrogen?
The InChIKey is CIUVQCMMUVILFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2.H2/c1-2-13-10(12)11-8-9-6-4-3-5-7-9;/h9H,2-8H2,1H3,(H,11,12);1H.
What are the key properties of ethyl N-(cyclohexylmethyl)carbamate;molecular hydrogen?
ethyl N-(cyclohexylmethyl)carbamate;molecular hydrogen has a molecular weight of 187.28 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(cyclohexylmethyl)carbamate;molecular hydrogen is sourced from PubChem (CID 144717784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).