2-ethyl-N,2-dimethyl-N-prop-2-enylbutanamide

C11H21NO — CID 14248676

IUPAC2-ethyl-N,2-dimethyl-N-prop-2-enylbutanamide
SMILESC=CCN(C)C(=O)C(C)(CC)CC
InChIInChI=1S/C11H21NO/c1-6-9-12(5)10(13)11(4,7-2)8-3/h6H,1,7-9H2,2-5H3
InChIKeyNBQDUJLCDQRWQJ-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.46
Rot. Bonds5

About 2-ethyl-N,2-dimethyl-N-prop-2-enylbutanamide

2-ethyl-N,2-dimethyl-N-prop-2-enylbutanamide (PubChem CID 14248676) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 2-ethyl-N,2-dimethyl-N-prop-2-enylbutanamide.

Molecular Properties

Compound Name2-ethyl-N,2-dimethyl-N-prop-2-enylbutanamide
PubChem CID14248676
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name2-ethyl-N,2-dimethyl-N-prop-2-enylbutanamide
SMILESC=CCN(C)C(=O)C(C)(CC)CC
InChIInChI=1S/C11H21NO/c1-6-9-12(5)10(13)11(4,7-2)8-3/h6H,1,7-9H2,2-5H3
InChIKeyNBQDUJLCDQRWQJ-UHFFFAOYSA-N
XLogP2.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N'-dimethyl-N,N'-bis(prop-2-enyl)oxamide
CID 71483404
1-ethyl-1,3-dimethyl-3-prop-2-enylurea
CID 116657053
2-fluoro-N-methyl-N-prop-2-enylprop-2-enamide
CID 139381351
2-[methyl(prop-2-enyl)amino]-2-oxoacetic acid
CID 71699730
methyl N-methyl-N-prop-2-enylcarbamate
CID 116657055
2-bromo-N-ethyl-2-methyl-N-prop-2-enylpropanamide
CID 114329005
2-ethoxy-2-methyl-N,N-bis(prop-2-enyl)propanamide
CID 146490139
3-[ethyl(prop-2-enyl)amino]-2,2-dimethyl-3-oxopropanoic acid
CID 82821512
2-(aminomethyl)-2-ethyl-N,N-bis(prop-2-enyl)butanamide
CID 115431597
2,2-dimethylbutane;tris(prop-2-enoic acid)
CID 86744534
5-(aminomethyl)-5-methylhept-1-en-4-one
CID 116610754
methyl 2-ethyl-2-methylpent-4-enoate
CID 14714437

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N,2-dimethyl-N-prop-2-enylbutanamide?
The IUPAC name of 2-ethyl-N,2-dimethyl-N-prop-2-enylbutanamide (CID 14248676) is 2-ethyl-N,2-dimethyl-N-prop-2-enylbutanamide.
What is the SMILES notation for 2-ethyl-N,2-dimethyl-N-prop-2-enylbutanamide?
The canonical SMILES for 2-ethyl-N,2-dimethyl-N-prop-2-enylbutanamide is C=CCN(C)C(=O)C(C)(CC)CC.
What is the InChIKey of 2-ethyl-N,2-dimethyl-N-prop-2-enylbutanamide?
The InChIKey is NBQDUJLCDQRWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-6-9-12(5)10(13)11(4,7-2)8-3/h6H,1,7-9H2,2-5H3.
What are the key properties of 2-ethyl-N,2-dimethyl-N-prop-2-enylbutanamide?
2-ethyl-N,2-dimethyl-N-prop-2-enylbutanamide has a molecular weight of 183.29 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N,2-dimethyl-N-prop-2-enylbutanamide is sourced from PubChem (CID 14248676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).