N-[(3Z,5E)-6-[ethenyl(methyl)amino]hepta-3,5-dien-2-yl]-N-methylprop-2-enamide

C14H22N2O — CID 170184127

IUPACN-[(3Z,5E)-6-[ethenyl(methyl)amino]hepta-3,5-dien-2-yl]-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)C(C)/C=C\C=C(/C)N(C)C=C
InChIInChI=1S/C14H22N2O/c1-7-14(17)16(6)13(4)11-9-10-12(3)15(5)8-2/h7-11,13H,1-2H2,3-6H3/b11-9-,12-10+
InChIKeyTVHVNLKWKRCFFU-DSOJMZEYSA-N
MW234.34 g/mol
LogP2.55
Rot. Bonds6

About N-[(3Z,5E)-6-[ethenyl(methyl)amino]hepta-3,5-dien-2-yl]-N-methylprop-2-enamide

N-[(3Z,5E)-6-[ethenyl(methyl)amino]hepta-3,5-dien-2-yl]-N-methylprop-2-enamide (PubChem CID 170184127) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-[(3Z,5E)-6-[ethenyl(methyl)amino]hepta-3,5-dien-2-yl]-N-methylprop-2-enamide.

Molecular Properties

Compound NameN-[(3Z,5E)-6-[ethenyl(methyl)amino]hepta-3,5-dien-2-yl]-N-methylprop-2-enamide
PubChem CID170184127
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-[(3Z,5E)-6-[ethenyl(methyl)amino]hepta-3,5-dien-2-yl]-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)C(C)/C=C\C=C(/C)N(C)C=C
InChIInChI=1S/C14H22N2O/c1-7-14(17)16(6)13(4)11-9-10-12(3)15(5)8-2/h7-11,13H,1-2H2,3-6H3/b11-9-,12-10+
InChIKeyTVHVNLKWKRCFFU-DSOJMZEYSA-N
XLogP2.55
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-[(2R,4E,6Z)-4-methylocta-4,6-dien-2-yl]prop-2-enamide
CID 178168015
N,N,6-trimethylnona-2,4,8-trien-2-amine
CID 123195262
2-[methyl(prop-2-enoyl)amino]propanamide;molecular hydrogen
CID 155589640
ethane;N-ethenyl-N-methylacetamide
CID 143223383
(3Z,5E)-3,7-dimethylocta-1,3,5-triene
CID 6436632
N-[(E,3R)-3-[acetyl(methyl)amino]but-1-enyl]-N-methylacetamide
CID 125476538
2-[methyl(prop-2-enoyl)amino]propane-1-sulfonic acid
CID 23496741
N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylprop-2-enamide
CID 11413337
(2S)-3-hydroxy-2-[methyl(prop-2-enoyl)amino]propanoic acid
CID 176549351
(E)-3-bromo-N-ethenyl-N-methylbut-2-enamide
CID 166842012
N,N-bis(1-hydroxyethyl)prop-2-enamide
CID 22665003
N,N-di(propan-2-yl)prop-2-enamide;ruthenium
CID 90254621

Frequently Asked Questions

What is the IUPAC name of N-[(3Z,5E)-6-[ethenyl(methyl)amino]hepta-3,5-dien-2-yl]-N-methylprop-2-enamide?
The IUPAC name of N-[(3Z,5E)-6-[ethenyl(methyl)amino]hepta-3,5-dien-2-yl]-N-methylprop-2-enamide (CID 170184127) is N-[(3Z,5E)-6-[ethenyl(methyl)amino]hepta-3,5-dien-2-yl]-N-methylprop-2-enamide.
What is the SMILES notation for N-[(3Z,5E)-6-[ethenyl(methyl)amino]hepta-3,5-dien-2-yl]-N-methylprop-2-enamide?
The canonical SMILES for N-[(3Z,5E)-6-[ethenyl(methyl)amino]hepta-3,5-dien-2-yl]-N-methylprop-2-enamide is C=CC(=O)N(C)C(C)/C=C\C=C(/C)N(C)C=C.
What is the InChIKey of N-[(3Z,5E)-6-[ethenyl(methyl)amino]hepta-3,5-dien-2-yl]-N-methylprop-2-enamide?
The InChIKey is TVHVNLKWKRCFFU-DSOJMZEYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-7-14(17)16(6)13(4)11-9-10-12(3)15(5)8-2/h7-11,13H,1-2H2,3-6H3/b11-9-,12-10+.
What are the key properties of N-[(3Z,5E)-6-[ethenyl(methyl)amino]hepta-3,5-dien-2-yl]-N-methylprop-2-enamide?
N-[(3Z,5E)-6-[ethenyl(methyl)amino]hepta-3,5-dien-2-yl]-N-methylprop-2-enamide has a molecular weight of 234.34 g/mol, XLogP of 2.55, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z,5E)-6-[ethenyl(methyl)amino]hepta-3,5-dien-2-yl]-N-methylprop-2-enamide is sourced from PubChem (CID 170184127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).