(4-ethyl-2-methylnonan-3-yl) N-ethyl-N-methylcarbamate

C16H33NO2 — CID 155445153

IUPAC(4-ethyl-2-methylnonan-3-yl) N-ethyl-N-methylcarbamate
SMILESCCCCCC(CC)C(OC(=O)N(C)CC)C(C)C
InChIInChI=1S/C16H33NO2/c1-7-10-11-12-14(8-2)15(13(4)5)19-16(18)17(6)9-3/h13-15H,7-12H2,1-6H3
InChIKeyOFSOZXARVWFPCC-UHFFFAOYSA-N
MW271.44 g/mol
LogP4.71
Rot. Bonds9

About (4-ethyl-2-methylnonan-3-yl) N-ethyl-N-methylcarbamate

(4-ethyl-2-methylnonan-3-yl) N-ethyl-N-methylcarbamate (PubChem CID 155445153) has the molecular formula C16H33NO2 and a molecular weight of 271.44 g/mol. Its IUPAC name is (4-ethyl-2-methylnonan-3-yl) N-ethyl-N-methylcarbamate.

Molecular Properties

Compound Name(4-ethyl-2-methylnonan-3-yl) N-ethyl-N-methylcarbamate
PubChem CID155445153
Molecular FormulaC16H33NO2
Molecular Weight271.44 g/mol
Exact Mass271.25
IUPAC Name(4-ethyl-2-methylnonan-3-yl) N-ethyl-N-methylcarbamate
SMILESCCCCCC(CC)C(OC(=O)N(C)CC)C(C)C
InChIInChI=1S/C16H33NO2/c1-7-10-11-12-14(8-2)15(13(4)5)19-16(18)17(6)9-3/h13-15H,7-12H2,1-6H3
InChIKeyOFSOZXARVWFPCC-UHFFFAOYSA-N
XLogP4.71
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.44
LogP ≤ 54.71
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

(4-ethyl-2-methylheptan-3-yl) N,N-dimethylcarbamate
CID 137457799
(4-hexyl-2-methyldecan-3-yl) N-(2,4-dimethylpentan-2-yl)-N-(2-methylpropyl)carbamate
CID 129191677
propan-2-yl N-methyl-N-octylcarbamate
CID 166755395
propan-2-yl N-hexyl-N-methylcarbamate
CID 88569732
2-acetyloxy-3-ethylpentadecanoic acid
CID 57359869
(4-ethyl-2-methylheptan-3-yl) undec-10-enyl carbonate
CID 137457864
(4-ethyl-2-methylhexan-3-yl) butanoate
CID 88974306
octan-2-yl N,N-diethylcarbamate
CID 175430238
4-ethyl-3-methylundecane
CID 57279647
2-methyl-3-tetradecylheptadecanoic acid
CID 176900342
9,10-diethyloctadecane
CID 530164
nonan-3-yl 2-methylpropanoate
CID 141408471

Frequently Asked Questions

What is the IUPAC name of (4-ethyl-2-methylnonan-3-yl) N-ethyl-N-methylcarbamate?
The IUPAC name of (4-ethyl-2-methylnonan-3-yl) N-ethyl-N-methylcarbamate (CID 155445153) is (4-ethyl-2-methylnonan-3-yl) N-ethyl-N-methylcarbamate.
What is the SMILES notation for (4-ethyl-2-methylnonan-3-yl) N-ethyl-N-methylcarbamate?
The canonical SMILES for (4-ethyl-2-methylnonan-3-yl) N-ethyl-N-methylcarbamate is CCCCCC(CC)C(OC(=O)N(C)CC)C(C)C.
What is the InChIKey of (4-ethyl-2-methylnonan-3-yl) N-ethyl-N-methylcarbamate?
The InChIKey is OFSOZXARVWFPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO2/c1-7-10-11-12-14(8-2)15(13(4)5)19-16(18)17(6)9-3/h13-15H,7-12H2,1-6H3.
What are the key properties of (4-ethyl-2-methylnonan-3-yl) N-ethyl-N-methylcarbamate?
(4-ethyl-2-methylnonan-3-yl) N-ethyl-N-methylcarbamate has a molecular weight of 271.44 g/mol, XLogP of 4.71, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-2-methylnonan-3-yl) N-ethyl-N-methylcarbamate is sourced from PubChem (CID 155445153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).