N-[(4Z,6Z)-4-butan-2-yl-3-methylidene-2-methyliminodeca-4,6-dienyl]prop-2-enamide

C19H30N2O — CID 168906162

IUPACN-[(4Z,6Z)-4-butan-2-yl-3-methylidene-2-methyliminodeca-4,6-dienyl]prop-2-enamide
SMILESC=CC(=O)NC/C(=N\C)C(=C)/C(=C\C=C/CCC)C(C)CC
InChIInChI=1S/C19H30N2O/c1-7-10-11-12-13-17(15(4)8-2)16(5)18(20-6)14-21-19(22)9-3/h9,11-13,15H,3,5,7-8,10,14H2,1-2,4,6H3,(H,21,22)/b12-11-,17-13-,20-18+
InChIKeyAYRKIOCNAAISQY-RAWDTJAJSA-N
MW302.46 g/mol
LogP4.24
Rot. Bonds10

About N-[(4Z,6Z)-4-butan-2-yl-3-methylidene-2-methyliminodeca-4,6-dienyl]prop-2-enamide

N-[(4Z,6Z)-4-butan-2-yl-3-methylidene-2-methyliminodeca-4,6-dienyl]prop-2-enamide (PubChem CID 168906162) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is N-[(4Z,6Z)-4-butan-2-yl-3-methylidene-2-methyliminodeca-4,6-dienyl]prop-2-enamide.

Molecular Properties

Compound NameN-[(4Z,6Z)-4-butan-2-yl-3-methylidene-2-methyliminodeca-4,6-dienyl]prop-2-enamide
PubChem CID168906162
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC NameN-[(4Z,6Z)-4-butan-2-yl-3-methylidene-2-methyliminodeca-4,6-dienyl]prop-2-enamide
SMILESC=CC(=O)NC/C(=N\C)C(=C)/C(=C\C=C/CCC)C(C)CC
InChIInChI=1S/C19H30N2O/c1-7-10-11-12-13-17(15(4)8-2)16(5)18(20-6)14-21-19(22)9-3/h9,11-13,15H,3,5,7-8,10,14H2,1-2,4,6H3,(H,21,22)/b12-11-,17-13-,20-18+
InChIKeyAYRKIOCNAAISQY-RAWDTJAJSA-N
XLogP4.24
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N-[(4Z,6Z)-4-butan-2-yl-3-methylidene-2-methyliminodeca-4,6-dienyl]prop-2-enamide with MolForge

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Related Compounds

N-[(3E,5Z)-2-methylimino-3-prop-1-en-2-ylhepta-3,5-dienyl]prop-2-enamide
CID 168906180
N-[2-[(but-3-en-2-ylamino)methyl]-3-(prop-2-enoylamino)-2-[(prop-2-enoylamino)methyl]propyl]prop-2-enamide
CID 155201474
N-[2-(dipropylamino)propyl]prop-2-enamide
CID 146592668
N-(4-methyl-2-methylidenepentyl)prop-2-enamide
CID 57407652
(7E,9E)-3,10-dimethyldodeca-7,9,11-trien-4-one
CID 102265677
N-(5-methyl-4-oxoheptyl)prop-2-enamide
CID 159101559
3-methylnona-1,3,5-triene
CID 154088357
3-methylnona-3,5-dien-2-one
CID 173004598
(3Z,5Z)-3-methylnona-1,3,5-triene
CID 144680511
N-[2-[2-[2-(prop-2-enoylamino)ethoxy]propoxy]ethyl]prop-2-enamide
CID 58412122
(3Z,5E)-3-methylnona-1,3,5-trien-2-ol
CID 142863796
N-(3-methyl-2-methylidenebut-3-enyl)prop-2-enamide
CID 89005604

Frequently Asked Questions

What is the IUPAC name of N-[(4Z,6Z)-4-butan-2-yl-3-methylidene-2-methyliminodeca-4,6-dienyl]prop-2-enamide?
The IUPAC name of N-[(4Z,6Z)-4-butan-2-yl-3-methylidene-2-methyliminodeca-4,6-dienyl]prop-2-enamide (CID 168906162) is N-[(4Z,6Z)-4-butan-2-yl-3-methylidene-2-methyliminodeca-4,6-dienyl]prop-2-enamide.
What is the SMILES notation for N-[(4Z,6Z)-4-butan-2-yl-3-methylidene-2-methyliminodeca-4,6-dienyl]prop-2-enamide?
The canonical SMILES for N-[(4Z,6Z)-4-butan-2-yl-3-methylidene-2-methyliminodeca-4,6-dienyl]prop-2-enamide is C=CC(=O)NC/C(=N\C)C(=C)/C(=C\C=C/CCC)C(C)CC.
What is the InChIKey of N-[(4Z,6Z)-4-butan-2-yl-3-methylidene-2-methyliminodeca-4,6-dienyl]prop-2-enamide?
The InChIKey is AYRKIOCNAAISQY-RAWDTJAJSA-N. The full InChI is InChI=1S/C19H30N2O/c1-7-10-11-12-13-17(15(4)8-2)16(5)18(20-6)14-21-19(22)9-3/h9,11-13,15H,3,5,7-8,10,14H2,1-2,4,6H3,(H,21,22)/b12-11-,17-13-,20-18+.
What are the key properties of N-[(4Z,6Z)-4-butan-2-yl-3-methylidene-2-methyliminodeca-4,6-dienyl]prop-2-enamide?
N-[(4Z,6Z)-4-butan-2-yl-3-methylidene-2-methyliminodeca-4,6-dienyl]prop-2-enamide has a molecular weight of 302.46 g/mol, XLogP of 4.24, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4Z,6Z)-4-butan-2-yl-3-methylidene-2-methyliminodeca-4,6-dienyl]prop-2-enamide is sourced from PubChem (CID 168906162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).