N-ethenyl-N-(2-ethylhexyl)carbamoyl chloride

C11H20ClNO — CID 21421924

IUPACN-ethenyl-N-(2-ethylhexyl)carbamoyl chloride
SMILESC=CN(CC(CC)CCCC)C(=O)Cl
InChIInChI=1S/C11H20ClNO/c1-4-7-8-10(5-2)9-13(6-3)11(12)14/h6,10H,3-5,7-9H2,1-2H3
InChIKeyXZZRLXZWEOPKRV-UHFFFAOYSA-N
MW217.74 g/mol
LogP4.01
Rot. Bonds7

About N-ethenyl-N-(2-ethylhexyl)carbamoyl chloride

N-ethenyl-N-(2-ethylhexyl)carbamoyl chloride (PubChem CID 21421924) has the molecular formula C11H20ClNO and a molecular weight of 217.74 g/mol. Its IUPAC name is N-ethenyl-N-(2-ethylhexyl)carbamoyl chloride.

Molecular Properties

Compound NameN-ethenyl-N-(2-ethylhexyl)carbamoyl chloride
PubChem CID21421924
Molecular FormulaC11H20ClNO
Molecular Weight217.74 g/mol
Exact Mass217.12
IUPAC NameN-ethenyl-N-(2-ethylhexyl)carbamoyl chloride
SMILESC=CN(CC(CC)CCCC)C(=O)Cl
InChIInChI=1S/C11H20ClNO/c1-4-7-8-10(5-2)9-13(6-3)11(12)14/h6,10H,3-5,7-9H2,1-2H3
InChIKeyXZZRLXZWEOPKRV-UHFFFAOYSA-N
XLogP4.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.74
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

[(E)-2-[carboxy(2-ethylhexyl)amino]ethenyl]-(2-ethylhexyl)carbamic acid
CID 21150840
N-(2-ethylhexyl)-N-methylprop-2-enamide
CID 150337538
2-chloro-N,N-bis[(2R)-2-ethylhexyl]acetamide
CID 129361637
2-ethyl-N,N-bis(prop-2-enyl)hexan-1-amine
CID 19751114
bis(2-ethylhexyl)carbamothioic S-acid
CID 25087104
1,1,2,2-tetrakis(2-ethylhexyl)hydrazine
CID 123650144
2-ethylhexyl-λ2-stannane;tris(prop-2-enoic acid)
CID 173132844
N,N,N',N'-tetrakis(2-ethylhexyl)hexanediamide
CID 20752277
2-ethyl-N-methyl-N-prop-2-enylhexan-1-amine
CID 88673133
[bis(2-ethylhexyl)amino]carbamic acid
CID 174534036
2-ethyl-N,N-bis(2-ethylhexyl)hexan-1-amine;hydrochloride
CID 23468552
N-chloro-N-(2-ethylhexyl)benzamide
CID 150667226

Frequently Asked Questions

What is the IUPAC name of N-ethenyl-N-(2-ethylhexyl)carbamoyl chloride?
The IUPAC name of N-ethenyl-N-(2-ethylhexyl)carbamoyl chloride (CID 21421924) is N-ethenyl-N-(2-ethylhexyl)carbamoyl chloride.
What is the SMILES notation for N-ethenyl-N-(2-ethylhexyl)carbamoyl chloride?
The canonical SMILES for N-ethenyl-N-(2-ethylhexyl)carbamoyl chloride is C=CN(CC(CC)CCCC)C(=O)Cl.
What is the InChIKey of N-ethenyl-N-(2-ethylhexyl)carbamoyl chloride?
The InChIKey is XZZRLXZWEOPKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClNO/c1-4-7-8-10(5-2)9-13(6-3)11(12)14/h6,10H,3-5,7-9H2,1-2H3.
What are the key properties of N-ethenyl-N-(2-ethylhexyl)carbamoyl chloride?
N-ethenyl-N-(2-ethylhexyl)carbamoyl chloride has a molecular weight of 217.74 g/mol, XLogP of 4.01, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-N-(2-ethylhexyl)carbamoyl chloride is sourced from PubChem (CID 21421924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).