(Z)-2-acetamido-N,4-dimethylpent-2-enamide

C9H16N2O2 — CID 102329590

IUPAC(Z)-2-acetamido-N,4-dimethylpent-2-enamide
SMILESCNC(=O)/C(=C/C(C)C)NC(C)=O
InChIInChI=1S/C9H16N2O2/c1-6(2)5-8(9(13)10-4)11-7(3)12/h5-6H,1-4H3,(H,10,13)(H,11,12)/b8-5-
InChIKeyBQKPVNFXIAVIFH-YVMONPNESA-N
MW184.24 g/mol
LogP0.41
Rot. Bonds3

About (Z)-2-acetamido-N,4-dimethylpent-2-enamide

(Z)-2-acetamido-N,4-dimethylpent-2-enamide (PubChem CID 102329590) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is (Z)-2-acetamido-N,4-dimethylpent-2-enamide.

Molecular Properties

Compound Name(Z)-2-acetamido-N,4-dimethylpent-2-enamide
PubChem CID102329590
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name(Z)-2-acetamido-N,4-dimethylpent-2-enamide
SMILESCNC(=O)/C(=C/C(C)C)NC(C)=O
InChIInChI=1S/C9H16N2O2/c1-6(2)5-8(9(13)10-4)11-7(3)12/h5-6H,1-4H3,(H,10,13)(H,11,12)/b8-5-
InChIKeyBQKPVNFXIAVIFH-YVMONPNESA-N
XLogP0.41
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,4-dimethyl-2-propan-2-ylpent-2-enamide
CID 174511197
2-[(2-acetamidoacetyl)amino]-4-methylpent-2-enoic acid
CID 131859719
(Z)-N-methyl-2-(methylamino)but-2-enamide
CID 88684309
N-(1-ethylsulfanyl-3-methylbut-1-enyl)acetamide
CID 123758494
N,N'-di((113C)methyl)oxamide
CID 169438737
N-methylacetamide;propan-2-ylazanium
CID 158450921
N-[(2E,4E)-4-(hydroxymethyl)hexa-2,4-dien-3-yl]acetamide
CID 143808617
5,7-dimethylocta-3,5-dien-2-one
CID 130754932
N-methylacetamide;1-(methylamino)ethanol
CID 159501218
(E)-2-acetamido-N-methyl-3-(3-nitrophenyl)prop-2-enamide
CID 6232705
2-acetamido-N-methyl-3-(3-nitrophenyl)prop-2-enamide
CID 4926309
tris(N-acetylacetamide);gallane
CID 175572719

Frequently Asked Questions

What is the IUPAC name of (Z)-2-acetamido-N,4-dimethylpent-2-enamide?
The IUPAC name of (Z)-2-acetamido-N,4-dimethylpent-2-enamide (CID 102329590) is (Z)-2-acetamido-N,4-dimethylpent-2-enamide.
What is the SMILES notation for (Z)-2-acetamido-N,4-dimethylpent-2-enamide?
The canonical SMILES for (Z)-2-acetamido-N,4-dimethylpent-2-enamide is CNC(=O)/C(=C/C(C)C)NC(C)=O.
What is the InChIKey of (Z)-2-acetamido-N,4-dimethylpent-2-enamide?
The InChIKey is BQKPVNFXIAVIFH-YVMONPNESA-N. The full InChI is InChI=1S/C9H16N2O2/c1-6(2)5-8(9(13)10-4)11-7(3)12/h5-6H,1-4H3,(H,10,13)(H,11,12)/b8-5-.
What are the key properties of (Z)-2-acetamido-N,4-dimethylpent-2-enamide?
(Z)-2-acetamido-N,4-dimethylpent-2-enamide has a molecular weight of 184.24 g/mol, XLogP of 0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-acetamido-N,4-dimethylpent-2-enamide is sourced from PubChem (CID 102329590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).