N,5-dimethyl-3-propan-2-yloxyhex-5-enamide

C11H21NO2 — CID 177048513

IUPACN,5-dimethyl-3-propan-2-yloxyhex-5-enamide
SMILESC=C(C)CC(CC(=O)NC)OC(C)C
InChIInChI=1S/C11H21NO2/c1-8(2)6-10(14-9(3)4)7-11(13)12-5/h9-10H,1,6-7H2,2-5H3,(H,12,13)
InChIKeyIJNNJGICLIFPKG-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.88
Rot. Bonds6

About N,5-dimethyl-3-propan-2-yloxyhex-5-enamide

N,5-dimethyl-3-propan-2-yloxyhex-5-enamide (PubChem CID 177048513) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is N,5-dimethyl-3-propan-2-yloxyhex-5-enamide.

Molecular Properties

Compound NameN,5-dimethyl-3-propan-2-yloxyhex-5-enamide
PubChem CID177048513
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC NameN,5-dimethyl-3-propan-2-yloxyhex-5-enamide
SMILESC=C(C)CC(CC(=O)NC)OC(C)C
InChIInChI=1S/C11H21NO2/c1-8(2)6-10(14-9(3)4)7-11(13)12-5/h9-10H,1,6-7H2,2-5H3,(H,12,13)
InChIKeyIJNNJGICLIFPKG-UHFFFAOYSA-N
XLogP1.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-3-propan-2-yloxyhexanamide
CID 123688714
[7-methyl-1-(methylamino)-1-oxooctan-3-yl] acetate
CID 88588180
3-methyl-2-[2-(methylamino)-2-oxoethyl]but-3-enoic acid
CID 123615948
3-ethoxy-N-methylpentanamide
CID 123953806
(3R)-3-acetamido-N-methylbutanamide
CID 87931486
(3R)-3-amino-N-methylbutanamide;hydrochloride
CID 87931451
(3S)-3,5-dimethylhex-5-en-2-one
CID 45085211
(3S)-3-acetamido-N-[(2S)-4-[[(2S)-4-[[(2S)-4-[[(2S)-4-[[(2S)-4-(methylamino)-4-oxobutan-2-yl]amino]-4-oxobutan-2-yl]amino]-4-oxobutan-2-yl]amino]-4-oxobutan-2-yl]amino]-4-oxobutan-2-yl]butanamide
CID 101104049
N-methyl-4-oxo-3-sulfanylpentanamide
CID 130374131
(3S)-N-methyl-3-methylsulfanylbutanamide
CID 58528328
N',2-dimethyl-3-(2-methylprop-2-enyl)butanediamide
CID 142005655
3-(2-methoxypropyl)-N,N'-dimethylpentanediamide
CID 141238561

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-3-propan-2-yloxyhex-5-enamide?
The IUPAC name of N,5-dimethyl-3-propan-2-yloxyhex-5-enamide (CID 177048513) is N,5-dimethyl-3-propan-2-yloxyhex-5-enamide.
What is the SMILES notation for N,5-dimethyl-3-propan-2-yloxyhex-5-enamide?
The canonical SMILES for N,5-dimethyl-3-propan-2-yloxyhex-5-enamide is C=C(C)CC(CC(=O)NC)OC(C)C.
What is the InChIKey of N,5-dimethyl-3-propan-2-yloxyhex-5-enamide?
The InChIKey is IJNNJGICLIFPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-8(2)6-10(14-9(3)4)7-11(13)12-5/h9-10H,1,6-7H2,2-5H3,(H,12,13).
What are the key properties of N,5-dimethyl-3-propan-2-yloxyhex-5-enamide?
N,5-dimethyl-3-propan-2-yloxyhex-5-enamide has a molecular weight of 199.29 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-3-propan-2-yloxyhex-5-enamide is sourced from PubChem (CID 177048513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).