2-methoxyethyl N-(1-cyclohexylethyl)-N-hexylcarbamate

C18H35NO3 — CID 140516614

IUPAC2-methoxyethyl N-(1-cyclohexylethyl)-N-hexylcarbamate
SMILESCCCCCCN(C(=O)OCCOC)C(C)C1CCCCC1
InChIInChI=1S/C18H35NO3/c1-4-5-6-10-13-19(18(20)22-15-14-21-3)16(2)17-11-8-7-9-12-17/h16-17H,4-15H2,1-3H3
InChIKeyYJISPOVWACRWRJ-UHFFFAOYSA-N
MW313.48 g/mol
LogP4.62
Rot. Bonds10

About 2-methoxyethyl N-(1-cyclohexylethyl)-N-hexylcarbamate

2-methoxyethyl N-(1-cyclohexylethyl)-N-hexylcarbamate (PubChem CID 140516614) has the molecular formula C18H35NO3 and a molecular weight of 313.48 g/mol. Its IUPAC name is 2-methoxyethyl N-(1-cyclohexylethyl)-N-hexylcarbamate.

Molecular Properties

Compound Name2-methoxyethyl N-(1-cyclohexylethyl)-N-hexylcarbamate
PubChem CID140516614
Molecular FormulaC18H35NO3
Molecular Weight313.48 g/mol
Exact Mass313.26
IUPAC Name2-methoxyethyl N-(1-cyclohexylethyl)-N-hexylcarbamate
SMILESCCCCCCN(C(=O)OCCOC)C(C)C1CCCCC1
InChIInChI=1S/C18H35NO3/c1-4-5-6-10-13-19(18(20)22-15-14-21-3)16(2)17-11-8-7-9-12-17/h16-17H,4-15H2,1-3H3
InChIKeyYJISPOVWACRWRJ-UHFFFAOYSA-N
XLogP4.62
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.48
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

butyl N-[(2S)-2-amino-3-methylbutanoyl]-N-[(1S)-1-cyclohexylethyl]carbamate
CID 67893688
octyl 2-amino-2-cyclohexylacetate
CID 63539863
3-cyclobutyl-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)urea
CID 115642256
methyl 3-cyclohexyl-2-[hexyl(propyl)amino]propanoate
CID 145242939
2-O-(2-methoxyethyl) 1-O-tetradecyl cyclohexane-1,2-dicarboxylate
CID 91721705
(2S)-2-[[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]amino]hexanoic acid
CID 107145828
tetradecyl 2-[2-methoxyethoxycarbonyl(methyl)amino]-3-methylbutanoate
CID 91730234
1-amino-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)cyclohexane-1-carboxamide
CID 54872120
octadecyl N-cyclohexylcarbamate
CID 70449091
1-cycloheptylethyl undecanoate
CID 173328758
octyl N-cyclohexylcarbamate
CID 141434119
1-cyclohexylethyl tridecanoate
CID 173328864

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl N-(1-cyclohexylethyl)-N-hexylcarbamate?
The IUPAC name of 2-methoxyethyl N-(1-cyclohexylethyl)-N-hexylcarbamate (CID 140516614) is 2-methoxyethyl N-(1-cyclohexylethyl)-N-hexylcarbamate.
What is the SMILES notation for 2-methoxyethyl N-(1-cyclohexylethyl)-N-hexylcarbamate?
The canonical SMILES for 2-methoxyethyl N-(1-cyclohexylethyl)-N-hexylcarbamate is CCCCCCN(C(=O)OCCOC)C(C)C1CCCCC1.
What is the InChIKey of 2-methoxyethyl N-(1-cyclohexylethyl)-N-hexylcarbamate?
The InChIKey is YJISPOVWACRWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO3/c1-4-5-6-10-13-19(18(20)22-15-14-21-3)16(2)17-11-8-7-9-12-17/h16-17H,4-15H2,1-3H3.
What are the key properties of 2-methoxyethyl N-(1-cyclohexylethyl)-N-hexylcarbamate?
2-methoxyethyl N-(1-cyclohexylethyl)-N-hexylcarbamate has a molecular weight of 313.48 g/mol, XLogP of 4.62, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl N-(1-cyclohexylethyl)-N-hexylcarbamate is sourced from PubChem (CID 140516614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).