N-(3,3-dimethylbutan-2-yl)-2-ethylhexanamide

C14H29NO — CID 58709489

IUPACN-(3,3-dimethylbutan-2-yl)-2-ethylhexanamide
SMILESCCCCC(CC)C(=O)NC(C)C(C)(C)C
InChIInChI=1S/C14H29NO/c1-7-9-10-12(8-2)13(16)15-11(3)14(4,5)6/h11-12H,7-10H2,1-6H3,(H,15,16)
InChIKeyNYQCTXKGMSBQQU-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.75
Rot. Bonds6

About N-(3,3-dimethylbutan-2-yl)-2-ethylhexanamide

N-(3,3-dimethylbutan-2-yl)-2-ethylhexanamide (PubChem CID 58709489) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-yl)-2-ethylhexanamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-yl)-2-ethylhexanamide
PubChem CID58709489
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC NameN-(3,3-dimethylbutan-2-yl)-2-ethylhexanamide
SMILESCCCCC(CC)C(=O)NC(C)C(C)(C)C
InChIInChI=1S/C14H29NO/c1-7-9-10-12(8-2)13(16)15-11(3)14(4,5)6/h11-12H,7-10H2,1-6H3,(H,15,16)
InChIKeyNYQCTXKGMSBQQU-UHFFFAOYSA-N
XLogP3.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2S)-1-aminopropan-2-yl]-2-ethylhexanamide
CID 120504739
N-(1-amino-4,4-dimethylpentan-3-yl)-2-ethylhexanamide
CID 114178195
2-(2-ethylhexanoylamino)hexanoic acid
CID 43469873
2-ethyl-N-[2-(2-ethylhexanoylamino)ethyl]hexanamide
CID 4675082
(2R)-2-(2-ethylhexanoylamino)-4-methylpentanoic acid
CID 78975573
6-(2-ethylhexanoylamino)-2-methylheptanoic acid
CID 65285585
(2S)-2-ethylhexanehydrazide
CID 40549650
N-butan-2-yl-2-propylhexanamide
CID 173163059
N-(1-amino-4-methylpentan-2-yl)-2-ethylhexanamide
CID 55243513
2-ethyl-N-pentylhexanamide
CID 5123867
3-(2-ethylhexanoylamino)-3-sulfopropanoic acid
CID 57309841
2-(2-ethylhexanoylamino)-3-methoxypropanoic acid
CID 81076563

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-yl)-2-ethylhexanamide?
The IUPAC name of N-(3,3-dimethylbutan-2-yl)-2-ethylhexanamide (CID 58709489) is N-(3,3-dimethylbutan-2-yl)-2-ethylhexanamide.
What is the SMILES notation for N-(3,3-dimethylbutan-2-yl)-2-ethylhexanamide?
The canonical SMILES for N-(3,3-dimethylbutan-2-yl)-2-ethylhexanamide is CCCCC(CC)C(=O)NC(C)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbutan-2-yl)-2-ethylhexanamide?
The InChIKey is NYQCTXKGMSBQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-7-9-10-12(8-2)13(16)15-11(3)14(4,5)6/h11-12H,7-10H2,1-6H3,(H,15,16).
What are the key properties of N-(3,3-dimethylbutan-2-yl)-2-ethylhexanamide?
N-(3,3-dimethylbutan-2-yl)-2-ethylhexanamide has a molecular weight of 227.39 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-yl)-2-ethylhexanamide is sourced from PubChem (CID 58709489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).