(4E)-2-methyl-4-(propanoylamino)-N,N-di(propan-2-yl)hepta-4,6-dienamide

C17H30N2O2 — CID 89153915

IUPAC(4E)-2-methyl-4-(propanoylamino)-N,N-di(propan-2-yl)hepta-4,6-dienamide
SMILESC=C/C=C(\CC(C)C(=O)N(C(C)C)C(C)C)NC(=O)CC
InChIInChI=1S/C17H30N2O2/c1-8-10-15(18-16(20)9-2)11-14(7)17(21)19(12(3)4)13(5)6/h8,10,12-14H,1,9,11H2,2-7H3,(H,18,20)/b15-10+
InChIKeyHTXRUDUMGCLGPW-XNTDXEJSSA-N
MW294.44 g/mol
LogP3.25
Rot. Bonds8

About (4E)-2-methyl-4-(propanoylamino)-N,N-di(propan-2-yl)hepta-4,6-dienamide

(4E)-2-methyl-4-(propanoylamino)-N,N-di(propan-2-yl)hepta-4,6-dienamide (PubChem CID 89153915) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is (4E)-2-methyl-4-(propanoylamino)-N,N-di(propan-2-yl)hepta-4,6-dienamide.

Molecular Properties

Compound Name(4E)-2-methyl-4-(propanoylamino)-N,N-di(propan-2-yl)hepta-4,6-dienamide
PubChem CID89153915
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name(4E)-2-methyl-4-(propanoylamino)-N,N-di(propan-2-yl)hepta-4,6-dienamide
SMILESC=C/C=C(\CC(C)C(=O)N(C(C)C)C(C)C)NC(=O)CC
InChIInChI=1S/C17H30N2O2/c1-8-10-15(18-16(20)9-2)11-14(7)17(21)19(12(3)4)13(5)6/h8,10,12-14H,1,9,11H2,2-7H3,(H,18,20)/b15-10+
InChIKeyHTXRUDUMGCLGPW-XNTDXEJSSA-N
XLogP3.25
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4E)-2-methyl-4-(propanoylamino)-N,N-di(propan-2-yl)hepta-4,6-dienamide 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

4-[5-(methylamino)pentanoylamino]-N,N-di(propan-2-yl)cyclohexa-2,4-diene-1-carboxamide
CID 71040381
(6S)-6-methyl-5-[5-(methylamino)pentanoylamino]-N-propan-2-ylcyclohexa-2,4-diene-1-carboxamide
CID 71040474
5-(propanoylamino)-N,N-di(propan-2-yl)cyclohexa-2,4-diene-1-carboxamide
CID 71080629
N-ethyl-1,2,5-trimethyl-2,3-dihydropyrrole-3-carboxamide
CID 89164505
(3Z,5E)-6-(propanoylamino)-N,N-di(propan-2-yl)octa-3,5,7-trienamide
CID 89214883
N-(4-methylcyclohexa-1,5-dien-1-yl)-2-(6-methyl-1,2-dihydropyridin-3-yl)acetamide
CID 89503212
N-[2-[[(2E,4Z)-7-[2-(diethylamino)ethylamino]-6-ethylocta-2,4,7-trien-3-yl]amino]ethyl]-N-ethenylbutanamide
CID 130370937
N-[2-[[[(4Z,6E)-6-(dipropylamino)nona-4,6,8-trien-2-yl]amino]methyl]butyl]pentanamide
CID 130372899
N-[(2E,4Z)-3-formamidohepta-2,4-dienyl]cyclohexa-2,4-diene-1-carboxamide
CID 130413415
N-[(4-acetamido-6-methylcyclohexa-2,4-dien-1-yl)methyl]acetamide
CID 134219545
4-amino-N-[(4Z,6Z)-4-(methylamino)octa-4,6-dienyl]butanamide
CID 137427779
(4Z,6E)-6-amino-3-methyl-N-(4-oxobutyl)nona-4,6-dienamide
CID 142275212

Frequently Asked Questions

What is the IUPAC name of (4E)-2-methyl-4-(propanoylamino)-N,N-di(propan-2-yl)hepta-4,6-dienamide?
The IUPAC name of (4E)-2-methyl-4-(propanoylamino)-N,N-di(propan-2-yl)hepta-4,6-dienamide (CID 89153915) is (4E)-2-methyl-4-(propanoylamino)-N,N-di(propan-2-yl)hepta-4,6-dienamide.
What is the SMILES notation for (4E)-2-methyl-4-(propanoylamino)-N,N-di(propan-2-yl)hepta-4,6-dienamide?
The canonical SMILES for (4E)-2-methyl-4-(propanoylamino)-N,N-di(propan-2-yl)hepta-4,6-dienamide is C=C/C=C(\CC(C)C(=O)N(C(C)C)C(C)C)NC(=O)CC.
What is the InChIKey of (4E)-2-methyl-4-(propanoylamino)-N,N-di(propan-2-yl)hepta-4,6-dienamide?
The InChIKey is HTXRUDUMGCLGPW-XNTDXEJSSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-8-10-15(18-16(20)9-2)11-14(7)17(21)19(12(3)4)13(5)6/h8,10,12-14H,1,9,11H2,2-7H3,(H,18,20)/b15-10+.
What are the key properties of (4E)-2-methyl-4-(propanoylamino)-N,N-di(propan-2-yl)hepta-4,6-dienamide?
(4E)-2-methyl-4-(propanoylamino)-N,N-di(propan-2-yl)hepta-4,6-dienamide has a molecular weight of 294.44 g/mol, XLogP of 3.25, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-2-methyl-4-(propanoylamino)-N,N-di(propan-2-yl)hepta-4,6-dienamide is sourced from PubChem (CID 89153915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).