N-(2,2-dimethoxyethyl)-2-ethyl-N-methylhexanamide

C13H27NO3 — CID 3414644

IUPACN-(2,2-dimethoxyethyl)-2-ethyl-N-methylhexanamide
SMILESCCCCC(CC)C(=O)N(C)CC(OC)OC
InChIInChI=1S/C13H27NO3/c1-6-8-9-11(7-2)13(15)14(3)10-12(16-4)17-5/h11-12H,6-10H2,1-5H3
InChIKeyHTPKLQFLYONRPP-UHFFFAOYSA-N
MW245.36 g/mol
LogP2.28
Rot. Bonds9

About N-(2,2-dimethoxyethyl)-2-ethyl-N-methylhexanamide

N-(2,2-dimethoxyethyl)-2-ethyl-N-methylhexanamide (PubChem CID 3414644) has the molecular formula C13H27NO3 and a molecular weight of 245.36 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-2-ethyl-N-methylhexanamide.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-2-ethyl-N-methylhexanamide
PubChem CID3414644
Molecular FormulaC13H27NO3
Molecular Weight245.36 g/mol
Exact Mass245.20
IUPAC NameN-(2,2-dimethoxyethyl)-2-ethyl-N-methylhexanamide
SMILESCCCCC(CC)C(=O)N(C)CC(OC)OC
InChIInChI=1S/C13H27NO3/c1-6-8-9-11(7-2)13(15)14(3)10-12(16-4)17-5/h11-12H,6-10H2,1-5H3
InChIKeyHTPKLQFLYONRPP-UHFFFAOYSA-N
XLogP2.28
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.36
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-[2-ethylhexanoyl(methyl)amino]-2-methylpropanoic acid
CID 55007969
2-ethyl-N,N-dimethylhexanamide
CID 3019000
N-(2-chloroethyl)-2-ethyl-N-methylhexanamide
CID 63391803
N-ethenyl-2-ethyl-N-methylhexanamide
CID 87457733
trimethylplumbyl 2-ethylhexanoate
CID 16683317
methyl 2-[2-ethylhexanoyl(propyl)amino]acetate
CID 55006245
2-ethyl-1-trimethylsilylhexan-1-one
CID 10987284
(2R)-2-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylhexanamide
CID 35520817
3,5-diethylnonan-4-one
CID 115785527
1-methoxypentyl acetate
CID 18000534
2-ethyl-N,N-dihydroxypentadecanamide;phosphoric acid
CID 175200186
tetrakis(2-ethylhexanoic acid);hafnium
CID 140535448

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-2-ethyl-N-methylhexanamide?
The IUPAC name of N-(2,2-dimethoxyethyl)-2-ethyl-N-methylhexanamide (CID 3414644) is N-(2,2-dimethoxyethyl)-2-ethyl-N-methylhexanamide.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-2-ethyl-N-methylhexanamide?
The canonical SMILES for N-(2,2-dimethoxyethyl)-2-ethyl-N-methylhexanamide is CCCCC(CC)C(=O)N(C)CC(OC)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-2-ethyl-N-methylhexanamide?
The InChIKey is HTPKLQFLYONRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3/c1-6-8-9-11(7-2)13(15)14(3)10-12(16-4)17-5/h11-12H,6-10H2,1-5H3.
What are the key properties of N-(2,2-dimethoxyethyl)-2-ethyl-N-methylhexanamide?
N-(2,2-dimethoxyethyl)-2-ethyl-N-methylhexanamide has a molecular weight of 245.36 g/mol, XLogP of 2.28, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-2-ethyl-N-methylhexanamide is sourced from PubChem (CID 3414644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).