N-[(2E,4Z)-hexa-2,4-dien-3-yl]-2-methylpentanamide

C12H21NO — CID 176984722

IUPACN-[(2E,4Z)-hexa-2,4-dien-3-yl]-2-methylpentanamide
SMILESC/C=C\C(=C/C)NC(=O)C(C)CCC
InChIInChI=1S/C12H21NO/c1-5-8-10(4)12(14)13-11(7-3)9-6-2/h6-7,9-10H,5,8H2,1-4H3,(H,13,14)/b9-6-,11-7+
InChIKeyLOEFHWDNQVORDL-STGKXFFCSA-N
MW195.31 g/mol
LogP3.02
Rot. Bonds5

About N-[(2E,4Z)-hexa-2,4-dien-3-yl]-2-methylpentanamide

N-[(2E,4Z)-hexa-2,4-dien-3-yl]-2-methylpentanamide (PubChem CID 176984722) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is N-[(2E,4Z)-hexa-2,4-dien-3-yl]-2-methylpentanamide.

Molecular Properties

Compound NameN-[(2E,4Z)-hexa-2,4-dien-3-yl]-2-methylpentanamide
PubChem CID176984722
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC NameN-[(2E,4Z)-hexa-2,4-dien-3-yl]-2-methylpentanamide
SMILESC/C=C\C(=C/C)NC(=O)C(C)CCC
InChIInChI=1S/C12H21NO/c1-5-8-10(4)12(14)13-11(7-3)9-6-2/h6-7,9-10H,5,8H2,1-4H3,(H,13,14)/b9-6-,11-7+
InChIKeyLOEFHWDNQVORDL-STGKXFFCSA-N
XLogP3.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(2E,4Z)-hexa-2,4-dien-3-yl]-2-methylpentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethyl-N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]pentanamide
CID 154930180
2-methyl-N-propan-2-ylpentanamide
CID 4628268
2-methylpentanehydrazide
CID 43183484
(E)-2-(2-methylpentanoylamino)hex-4-enoic acid
CID 120694191
ethyl 2-(hexa-2,4-dien-3-ylamino)-2-oxoacetate
CID 90908970
2-methyl-N-[2-(methylamino)ethyl]pentanamide
CID 62659666
N-(4-hydroxybutan-2-yl)-2-methylpentanamide
CID 81042782
(2S)-N-ethoxy-2-methylpentanamide
CID 90228672
(6S)-4,6-dimethylnonan-5-one
CID 177467625
azane;2-methyl-N-(2-methylpentanoyl)pentanamide;bis(2-methylpentanamide);bis(2-methylpentanoic acid);bis(molecular iodine)
CID 158421176
2,2,3-trimethyl-3-(2-methylpentanoylamino)butanoic acid
CID 65261594
2-methyl-N-prop-2-ynylpentanamide
CID 60707067

Frequently Asked Questions

What is the IUPAC name of N-[(2E,4Z)-hexa-2,4-dien-3-yl]-2-methylpentanamide?
The IUPAC name of N-[(2E,4Z)-hexa-2,4-dien-3-yl]-2-methylpentanamide (CID 176984722) is N-[(2E,4Z)-hexa-2,4-dien-3-yl]-2-methylpentanamide.
What is the SMILES notation for N-[(2E,4Z)-hexa-2,4-dien-3-yl]-2-methylpentanamide?
The canonical SMILES for N-[(2E,4Z)-hexa-2,4-dien-3-yl]-2-methylpentanamide is C/C=C\C(=C/C)NC(=O)C(C)CCC.
What is the InChIKey of N-[(2E,4Z)-hexa-2,4-dien-3-yl]-2-methylpentanamide?
The InChIKey is LOEFHWDNQVORDL-STGKXFFCSA-N. The full InChI is InChI=1S/C12H21NO/c1-5-8-10(4)12(14)13-11(7-3)9-6-2/h6-7,9-10H,5,8H2,1-4H3,(H,13,14)/b9-6-,11-7+.
What are the key properties of N-[(2E,4Z)-hexa-2,4-dien-3-yl]-2-methylpentanamide?
N-[(2E,4Z)-hexa-2,4-dien-3-yl]-2-methylpentanamide has a molecular weight of 195.31 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,4Z)-hexa-2,4-dien-3-yl]-2-methylpentanamide is sourced from PubChem (CID 176984722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).