N-(1-methoxy-4-methylpentan-2-yl)-N-methylprop-2-enamide

C11H21NO2 — CID 169185691

IUPACN-(1-methoxy-4-methylpentan-2-yl)-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)C(COC)CC(C)C
InChIInChI=1S/C11H21NO2/c1-6-11(13)12(4)10(8-14-5)7-9(2)3/h6,9-10H,1,7-8H2,2-5H3
InChIKeyFDNPXPQXBFMUSC-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.69
Rot. Bonds6

About N-(1-methoxy-4-methylpentan-2-yl)-N-methylprop-2-enamide

N-(1-methoxy-4-methylpentan-2-yl)-N-methylprop-2-enamide (PubChem CID 169185691) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is N-(1-methoxy-4-methylpentan-2-yl)-N-methylprop-2-enamide.

Molecular Properties

Compound NameN-(1-methoxy-4-methylpentan-2-yl)-N-methylprop-2-enamide
PubChem CID169185691
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC NameN-(1-methoxy-4-methylpentan-2-yl)-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)C(COC)CC(C)C
InChIInChI=1S/C11H21NO2/c1-6-11(13)12(4)10(8-14-5)7-9(2)3/h6,9-10H,1,7-8H2,2-5H3
InChIKeyFDNPXPQXBFMUSC-UHFFFAOYSA-N
XLogP1.69
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-N-prop-2-enylacetamide
CID 135072444
1-(3-Propan-2-ylmorpholin-4-yl)prop-2-en-1-one
CID 14320536
1-[3-(2-Methylpropyl)morpholin-4-yl]prop-2-en-1-one
CID 132381229
1-[(3S)-3-(2-methylpropyl)morpholin-4-yl]prop-2-en-1-one
CID 132396319
N-[2,2-dimethyl-3-[3-(2-methylpropyl)morpholin-4-yl]propyl]-N-methylprop-2-enamide
CID 139520028
methyl (2S)-4-methyl-2-[methyl(prop-2-enoyl)amino]pentanoate
CID 141160263
1-[4-Methyl-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 155725293
1-[(2R)-2-(methoxymethyl)-4-methylpyrrolidin-1-yl]prop-2-en-1-one
CID 162381734
1-[2-(4-Methylpentoxy)ethyl]pyrrole-2,5-dione
CID 168832685
1-(3-Propylmorpholin-4-yl)prop-2-en-1-one
CID 169185601
1-[(3R)-3-propylmorpholin-4-yl]prop-2-en-1-one
CID 169185680
1-[(2R,4S)-2-(methoxymethyl)-4-methylpyrrolidin-1-yl]prop-2-en-1-one
CID 169857573

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxy-4-methylpentan-2-yl)-N-methylprop-2-enamide?
The IUPAC name of N-(1-methoxy-4-methylpentan-2-yl)-N-methylprop-2-enamide (CID 169185691) is N-(1-methoxy-4-methylpentan-2-yl)-N-methylprop-2-enamide.
What is the SMILES notation for N-(1-methoxy-4-methylpentan-2-yl)-N-methylprop-2-enamide?
The canonical SMILES for N-(1-methoxy-4-methylpentan-2-yl)-N-methylprop-2-enamide is C=CC(=O)N(C)C(COC)CC(C)C.
What is the InChIKey of N-(1-methoxy-4-methylpentan-2-yl)-N-methylprop-2-enamide?
The InChIKey is FDNPXPQXBFMUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-6-11(13)12(4)10(8-14-5)7-9(2)3/h6,9-10H,1,7-8H2,2-5H3.
What are the key properties of N-(1-methoxy-4-methylpentan-2-yl)-N-methylprop-2-enamide?
N-(1-methoxy-4-methylpentan-2-yl)-N-methylprop-2-enamide has a molecular weight of 199.29 g/mol, XLogP of 1.69, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxy-4-methylpentan-2-yl)-N-methylprop-2-enamide is sourced from PubChem (CID 169185691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).