N-(2-chloroethyl)-2-ethyl-N-methylhexanamide

C11H22ClNO — CID 63391803

IUPACN-(2-chloroethyl)-2-ethyl-N-methylhexanamide
SMILESCCCCC(CC)C(=O)N(C)CCCl
InChIInChI=1S/C11H22ClNO/c1-4-6-7-10(5-2)11(14)13(3)9-8-12/h10H,4-9H2,1-3H3
InChIKeyOOVVCRBTYJWVMA-UHFFFAOYSA-N
MW219.76 g/mol
LogP2.90
Rot. Bonds7

About N-(2-chloroethyl)-2-ethyl-N-methylhexanamide

N-(2-chloroethyl)-2-ethyl-N-methylhexanamide (PubChem CID 63391803) has the molecular formula C11H22ClNO and a molecular weight of 219.76 g/mol. Its IUPAC name is N-(2-chloroethyl)-2-ethyl-N-methylhexanamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-2-ethyl-N-methylhexanamide
PubChem CID63391803
Molecular FormulaC11H22ClNO
Molecular Weight219.76 g/mol
Exact Mass219.14
IUPAC NameN-(2-chloroethyl)-2-ethyl-N-methylhexanamide
SMILESCCCCC(CC)C(=O)N(C)CCCl
InChIInChI=1S/C11H22ClNO/c1-4-6-7-10(5-2)11(14)13(3)9-8-12/h10H,4-9H2,1-3H3
InChIKeyOOVVCRBTYJWVMA-UHFFFAOYSA-N
XLogP2.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.76
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-N,N-dimethylhexanamide
CID 3019000
N-ethenyl-2-ethyl-N-methylhexanamide
CID 87457733
3-[2-ethylhexanoyl(methyl)amino]-2-methylpropanoic acid
CID 55007969
N-(2,2-dimethoxyethyl)-2-ethyl-N-methylhexanamide
CID 3414644
N-(5-chloropentyl)-N-methyl-2-propylpentanamide
CID 107205571
(3S)-1-chloro-3-ethylheptan-2-one
CID 163500403
(2S)-2-amino-N-butyl-N-methylhexanamide
CID 103830866
2-hexyl-N-[8-[8-[2-hexyldecanoyl(methyl)amino]octyl-methylamino]octyl]-N-methyldecanamide
CID 168943795
methyl 2-[2-ethylhexanoyl(propyl)amino]acetate
CID 55006245
N,N-bis(2-chloroethyl)-2-ethylbutanamide
CID 79018634
N-[2-(dimethylamino)ethyl]-2-ethyl-N-methylbutanamide
CID 110481330
N-(2-bromoethyl)-N-cyclobutyl-2-ethylhexanamide
CID 102873018

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-2-ethyl-N-methylhexanamide?
The IUPAC name of N-(2-chloroethyl)-2-ethyl-N-methylhexanamide (CID 63391803) is N-(2-chloroethyl)-2-ethyl-N-methylhexanamide.
What is the SMILES notation for N-(2-chloroethyl)-2-ethyl-N-methylhexanamide?
The canonical SMILES for N-(2-chloroethyl)-2-ethyl-N-methylhexanamide is CCCCC(CC)C(=O)N(C)CCCl.
What is the InChIKey of N-(2-chloroethyl)-2-ethyl-N-methylhexanamide?
The InChIKey is OOVVCRBTYJWVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClNO/c1-4-6-7-10(5-2)11(14)13(3)9-8-12/h10H,4-9H2,1-3H3.
What are the key properties of N-(2-chloroethyl)-2-ethyl-N-methylhexanamide?
N-(2-chloroethyl)-2-ethyl-N-methylhexanamide has a molecular weight of 219.76 g/mol, XLogP of 2.90, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-2-ethyl-N-methylhexanamide is sourced from PubChem (CID 63391803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).