N-acetyl-4-ethyl-2-methyl-N'-propan-2-ylpent-2-enediamide

C13H22N2O3 — CID 59084368

IUPACN-acetyl-4-ethyl-2-methyl-N'-propan-2-ylpent-2-enediamide
SMILESCCC(C=C(C)C(=O)NC(C)=O)C(=O)NC(C)C
InChIInChI=1S/C13H22N2O3/c1-6-11(13(18)14-8(2)3)7-9(4)12(17)15-10(5)16/h7-8,11H,6H2,1-5H3,(H,14,18)(H,15,16,17)
InChIKeyCJQFEXBOUXHVOI-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.15
Rot. Bonds5

About N-acetyl-4-ethyl-2-methyl-N'-propan-2-ylpent-2-enediamide

N-acetyl-4-ethyl-2-methyl-N'-propan-2-ylpent-2-enediamide (PubChem CID 59084368) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is N-acetyl-4-ethyl-2-methyl-N'-propan-2-ylpent-2-enediamide.

Molecular Properties

Compound NameN-acetyl-4-ethyl-2-methyl-N'-propan-2-ylpent-2-enediamide
PubChem CID59084368
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC NameN-acetyl-4-ethyl-2-methyl-N'-propan-2-ylpent-2-enediamide
SMILESCCC(C=C(C)C(=O)NC(C)=O)C(=O)NC(C)C
InChIInChI=1S/C13H22N2O3/c1-6-11(13(18)14-8(2)3)7-9(4)12(17)15-10(5)16/h7-8,11H,6H2,1-5H3,(H,14,18)(H,15,16,17)
InChIKeyCJQFEXBOUXHVOI-UHFFFAOYSA-N
XLogP1.15
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[(E)-4,8-dimethyl-6-oxonon-4-en-2-yl]-3-fluoroprop-2-enamide
CID 152990810
N-[(Z)-5-fluoro-8-methyl-7-oxonon-5-en-2-yl]-3-methylbut-2-enamide
CID 166882200
3-fluoro-2-methyl-5-propan-2-yl-2,3-dihydro-1H-pyridin-6-one
CID 170011942
(Z,4S)-4-(2,2-dimethylpropanoylamino)-2-methyl-N-propan-2-ylpent-2-enamide
CID 11715814
(3E)-3-(2,5-dioxopyrrolidin-3-ylidene)-2-methyl-N-(2-methylpropyl)propanamide
CID 154709685
(3E)-2-methyl-3-(1-methyl-2,5-dioxopyrrolidin-3-ylidene)-N-(2-methylpropyl)propanamide
CID 154711077
(3E)-3-(1-ethyl-2,5-dioxopyrrolidin-3-ylidene)-2-methyl-N-(2-methylpropyl)propanamide
CID 154711150
(Z)-4-methyl-N,2-di(propan-2-yl)pent-2-enamide
CID 12902086
(2E,6Z)-N-(2-methylbutyl)nona-2,6-dienamide
CID 11241561
(E)-2-methyl-4-(propan-2-ylamino)hex-2-enamide
CID 20096762
N-propyl-3-acetamido-1,5-cyclohexadienecarboxamide
CID 20375725
(E)-4-(ethylamino)-2-methylhex-2-enamide
CID 22497376

Frequently Asked Questions

What is the IUPAC name of N-acetyl-4-ethyl-2-methyl-N'-propan-2-ylpent-2-enediamide?
The IUPAC name of N-acetyl-4-ethyl-2-methyl-N'-propan-2-ylpent-2-enediamide (CID 59084368) is N-acetyl-4-ethyl-2-methyl-N'-propan-2-ylpent-2-enediamide.
What is the SMILES notation for N-acetyl-4-ethyl-2-methyl-N'-propan-2-ylpent-2-enediamide?
The canonical SMILES for N-acetyl-4-ethyl-2-methyl-N'-propan-2-ylpent-2-enediamide is CCC(C=C(C)C(=O)NC(C)=O)C(=O)NC(C)C.
What is the InChIKey of N-acetyl-4-ethyl-2-methyl-N'-propan-2-ylpent-2-enediamide?
The InChIKey is CJQFEXBOUXHVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-6-11(13(18)14-8(2)3)7-9(4)12(17)15-10(5)16/h7-8,11H,6H2,1-5H3,(H,14,18)(H,15,16,17).
What are the key properties of N-acetyl-4-ethyl-2-methyl-N'-propan-2-ylpent-2-enediamide?
N-acetyl-4-ethyl-2-methyl-N'-propan-2-ylpent-2-enediamide has a molecular weight of 254.33 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-4-ethyl-2-methyl-N'-propan-2-ylpent-2-enediamide is sourced from PubChem (CID 59084368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).