ethyl N-(6-methylheptyl)-N-phenylcarbamate

C17H27NO2 — CID 163979854

IUPACethyl N-(6-methylheptyl)-N-phenylcarbamate
SMILESCCOC(=O)N(CCCCCC(C)C)c1ccccc1
InChIInChI=1S/C17H27NO2/c1-4-20-17(19)18(16-12-8-5-9-13-16)14-10-6-7-11-15(2)3/h5,8-9,12-13,15H,4,6-7,10-11,14H2,1-3H3
InChIKeySXKQTDAYJOPIJO-UHFFFAOYSA-N
MW277.41 g/mol
LogP4.87
Rot. Bonds8

About ethyl N-(6-methylheptyl)-N-phenylcarbamate

ethyl N-(6-methylheptyl)-N-phenylcarbamate (PubChem CID 163979854) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is ethyl N-(6-methylheptyl)-N-phenylcarbamate.

Molecular Properties

Compound Nameethyl N-(6-methylheptyl)-N-phenylcarbamate
PubChem CID163979854
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Nameethyl N-(6-methylheptyl)-N-phenylcarbamate
SMILESCCOC(=O)N(CCCCCC(C)C)c1ccccc1
InChIInChI=1S/C17H27NO2/c1-4-20-17(19)18(16-12-8-5-9-13-16)14-10-6-7-11-15(2)3/h5,8-9,12-13,15H,4,6-7,10-11,14H2,1-3H3
InChIKeySXKQTDAYJOPIJO-UHFFFAOYSA-N
XLogP4.87
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-[3-cyclopenta-1,2,4-trien-1-yl-3-(propan-2-ylamino)propyl]-N-phenylcarbamate
CID 177488280
tert-butyl N-hexyl-N-phenylcarbamate
CID 135064745
diethyl 2-[2-(N-butylanilino)-2-oxoethyl]propanedioate
CID 135072362
tert-butyl N-octadecyl-N-phenylcarbamate
CID 174455229
4-amino-N-butyl-N-phenylpentanamide
CID 64585388
ethyl 3-(N-ethoxycarbonylanilino)-2-methylbutanoate
CID 134521705
3,3,3-trifluoro-N-(4-methylpentyl)-N-phenyl-2-(trifluoromethyl)propanamide
CID 54008226
ethyl N-phenyl-N-(thiophen-2-ylmethyl)carbamate
CID 91149975
2,2,2-trifluoroethyl N-butyl-N-phenylcarbamate
CID 64586778
octyl(phenyl)carbamic acid
CID 54301990
N-hexyl-N-phenylacetamide
CID 13217997
hexyl N-[(N-hexoxycarbonylanilino)methyl]-N-phenylcarbamate
CID 91468455

Frequently Asked Questions

What is the IUPAC name of ethyl N-(6-methylheptyl)-N-phenylcarbamate?
The IUPAC name of ethyl N-(6-methylheptyl)-N-phenylcarbamate (CID 163979854) is ethyl N-(6-methylheptyl)-N-phenylcarbamate.
What is the SMILES notation for ethyl N-(6-methylheptyl)-N-phenylcarbamate?
The canonical SMILES for ethyl N-(6-methylheptyl)-N-phenylcarbamate is CCOC(=O)N(CCCCCC(C)C)c1ccccc1.
What is the InChIKey of ethyl N-(6-methylheptyl)-N-phenylcarbamate?
The InChIKey is SXKQTDAYJOPIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-4-20-17(19)18(16-12-8-5-9-13-16)14-10-6-7-11-15(2)3/h5,8-9,12-13,15H,4,6-7,10-11,14H2,1-3H3.
What are the key properties of ethyl N-(6-methylheptyl)-N-phenylcarbamate?
ethyl N-(6-methylheptyl)-N-phenylcarbamate has a molecular weight of 277.41 g/mol, XLogP of 4.87, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(6-methylheptyl)-N-phenylcarbamate is sourced from PubChem (CID 163979854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).