N-(4-ethylhexan-3-yl)-N,2-dimethylpropanamide

C13H27NO — CID 142091600

IUPACN-(4-ethylhexan-3-yl)-N,2-dimethylpropanamide
SMILESCCC(CC)C(CC)N(C)C(=O)C(C)C
InChIInChI=1S/C13H27NO/c1-7-11(8-2)12(9-3)14(6)13(15)10(4)5/h10-12H,7-9H2,1-6H3
InChIKeyVJQSOMJALYXJKI-UHFFFAOYSA-N
MW213.37 g/mol
LogP3.32
Rot. Bonds6

About N-(4-ethylhexan-3-yl)-N,2-dimethylpropanamide

N-(4-ethylhexan-3-yl)-N,2-dimethylpropanamide (PubChem CID 142091600) has the molecular formula C13H27NO and a molecular weight of 213.37 g/mol. Its IUPAC name is N-(4-ethylhexan-3-yl)-N,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(4-ethylhexan-3-yl)-N,2-dimethylpropanamide
PubChem CID142091600
Molecular FormulaC13H27NO
Molecular Weight213.37 g/mol
Exact Mass213.21
IUPAC NameN-(4-ethylhexan-3-yl)-N,2-dimethylpropanamide
SMILESCCC(CC)C(CC)N(C)C(=O)C(C)C
InChIInChI=1S/C13H27NO/c1-7-11(8-2)12(9-3)14(6)13(15)10(4)5/h10-12H,7-9H2,1-6H3
InChIKeyVJQSOMJALYXJKI-UHFFFAOYSA-N
XLogP3.32
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,2-dimethyl-N-[(2R)-4-methylpentan-2-yl]propanamide
CID 153298886
N-(1-chloropropan-2-yl)-N,2-dimethylpropanamide
CID 104555861
3-(dimethylamino)-2-ethylpentan-1-ol
CID 116913191
N,N-dimethanidyl-2-methylpropanamide;ethane;tungsten(2+)
CID 157427240
N-(4-amino-4-hydroxyiminobutan-2-yl)-N,2-dimethylpropanamide
CID 76987705
N,2-dimethyl-N-(3-methylheptan-4-yl)butanamide;ethane
CID 142005594
N-methyl-N-(3-methyl-1-oxopentan-2-yl)acetamide
CID 19757608
N-(2-ethoxyethyl)-N,2-dimethylpropanamide
CID 11423854
N-butan-2-yl-2-methyl-N-propylpropanamide
CID 153425252
N-acetyl-N,2-dimethylbutanamide;ethane
CID 177191863
N-butyl-N,2-dimethylpropanamide
CID 21413636
N-[1-(hydroxyamino)-1-oxopropan-2-yl]-N,2-dimethylpropanamide
CID 18729408

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylhexan-3-yl)-N,2-dimethylpropanamide?
The IUPAC name of N-(4-ethylhexan-3-yl)-N,2-dimethylpropanamide (CID 142091600) is N-(4-ethylhexan-3-yl)-N,2-dimethylpropanamide.
What is the SMILES notation for N-(4-ethylhexan-3-yl)-N,2-dimethylpropanamide?
The canonical SMILES for N-(4-ethylhexan-3-yl)-N,2-dimethylpropanamide is CCC(CC)C(CC)N(C)C(=O)C(C)C.
What is the InChIKey of N-(4-ethylhexan-3-yl)-N,2-dimethylpropanamide?
The InChIKey is VJQSOMJALYXJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-7-11(8-2)12(9-3)14(6)13(15)10(4)5/h10-12H,7-9H2,1-6H3.
What are the key properties of N-(4-ethylhexan-3-yl)-N,2-dimethylpropanamide?
N-(4-ethylhexan-3-yl)-N,2-dimethylpropanamide has a molecular weight of 213.37 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylhexan-3-yl)-N,2-dimethylpropanamide is sourced from PubChem (CID 142091600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).