(E)-3,4-dimethyl-5-(2-methylpropanoylamino)-N-propan-2-ylpent-3-enamide

C14H26N2O2 — CID 15427851

IUPAC(E)-3,4-dimethyl-5-(2-methylpropanoylamino)-N-propan-2-ylpent-3-enamide
SMILESC/C(CNC(=O)C(C)C)=C(/C)CC(=O)NC(C)C
InChIInChI=1S/C14H26N2O2/c1-9(2)14(18)15-8-12(6)11(5)7-13(17)16-10(3)4/h9-10H,7-8H2,1-6H3,(H,15,18)(H,16,17)/b12-11+
InChIKeyURXXZBWXKRVLTP-VAWYXSNFSA-N
MW254.37 g/mol
LogP2.01
Rot. Bonds6

About (E)-3,4-dimethyl-5-(2-methylpropanoylamino)-N-propan-2-ylpent-3-enamide

(E)-3,4-dimethyl-5-(2-methylpropanoylamino)-N-propan-2-ylpent-3-enamide (PubChem CID 15427851) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is (E)-3,4-dimethyl-5-(2-methylpropanoylamino)-N-propan-2-ylpent-3-enamide.

Molecular Properties

Compound Name(E)-3,4-dimethyl-5-(2-methylpropanoylamino)-N-propan-2-ylpent-3-enamide
PubChem CID15427851
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name(E)-3,4-dimethyl-5-(2-methylpropanoylamino)-N-propan-2-ylpent-3-enamide
SMILESC/C(CNC(=O)C(C)C)=C(/C)CC(=O)NC(C)C
InChIInChI=1S/C14H26N2O2/c1-9(2)14(18)15-8-12(6)11(5)7-13(17)16-10(3)4/h9-10H,7-8H2,1-6H3,(H,15,18)(H,16,17)/b12-11+
InChIKeyURXXZBWXKRVLTP-VAWYXSNFSA-N
XLogP2.01
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-methylpropanoyl)-N-propan-2-ylpropanediamide
CID 178083708
N-ethyl-2-methylpropanamide;methane;N-propan-2-ylpropanamide
CID 160804032
N-ethyl-2-methylpropanamide;N-propan-2-ylbutanamide
CID 158607783
4-methyl-3-oxo-N-propan-2-ylpentanamide
CID 59848448
ethane;(2R)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-sulfanylpropanamide
CID 145330870
2-(methylamino)-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 62639289
3-methyl-N-propan-2-ylbut-3-enamide
CID 59532905
2,3-dimethyl-4-oxo-4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]butanoic acid
CID 103496290
N-(2-amino-2-sulfanylideneethyl)-2-methylpropanamide
CID 61127271
(2S)-2-amino-3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide
CID 61173876
N-propan-2-ylpropanamide;dihydrochloride
CID 172679019
2-acetamido-2-cyclopentyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 134026215

Frequently Asked Questions

What is the IUPAC name of (E)-3,4-dimethyl-5-(2-methylpropanoylamino)-N-propan-2-ylpent-3-enamide?
The IUPAC name of (E)-3,4-dimethyl-5-(2-methylpropanoylamino)-N-propan-2-ylpent-3-enamide (CID 15427851) is (E)-3,4-dimethyl-5-(2-methylpropanoylamino)-N-propan-2-ylpent-3-enamide.
What is the SMILES notation for (E)-3,4-dimethyl-5-(2-methylpropanoylamino)-N-propan-2-ylpent-3-enamide?
The canonical SMILES for (E)-3,4-dimethyl-5-(2-methylpropanoylamino)-N-propan-2-ylpent-3-enamide is C/C(CNC(=O)C(C)C)=C(/C)CC(=O)NC(C)C.
What is the InChIKey of (E)-3,4-dimethyl-5-(2-methylpropanoylamino)-N-propan-2-ylpent-3-enamide?
The InChIKey is URXXZBWXKRVLTP-VAWYXSNFSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-9(2)14(18)15-8-12(6)11(5)7-13(17)16-10(3)4/h9-10H,7-8H2,1-6H3,(H,15,18)(H,16,17)/b12-11+.
What are the key properties of (E)-3,4-dimethyl-5-(2-methylpropanoylamino)-N-propan-2-ylpent-3-enamide?
(E)-3,4-dimethyl-5-(2-methylpropanoylamino)-N-propan-2-ylpent-3-enamide has a molecular weight of 254.37 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3,4-dimethyl-5-(2-methylpropanoylamino)-N-propan-2-ylpent-3-enamide is sourced from PubChem (CID 15427851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).