(4E)-3-imino-N,7-dimethyl-4-[1-(methylamino)ethenyl]-2-(3-oxopropyl)octa-4,6-dienamide

C16H25N3O2 — CID 177339100

IUPAC(4E)-3-imino-N,7-dimethyl-4-[1-(methylamino)ethenyl]-2-(3-oxopropyl)octa-4,6-dienamide
SMILES[H]/N=C(C(=C/C=C(C)C)/C(=C)NC)\C(CCC=O)C(=O)NC
InChIInChI=1S/C16H25N3O2/c1-11(2)8-9-13(12(3)18-4)15(17)14(7-6-10-20)16(21)19-5/h8-10,14,17-18H,3,6-7H2,1-2,4-5H3,(H,19,21)/b13-9+,17-15-
InChIKeyJHNUCNYWWWBMON-UYVUBNSVSA-N
MW291.39 g/mol
LogP1.97
Rot. Bonds9

About (4E)-3-imino-N,7-dimethyl-4-[1-(methylamino)ethenyl]-2-(3-oxopropyl)octa-4,6-dienamide

(4E)-3-imino-N,7-dimethyl-4-[1-(methylamino)ethenyl]-2-(3-oxopropyl)octa-4,6-dienamide (PubChem CID 177339100) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is (4E)-3-imino-N,7-dimethyl-4-[1-(methylamino)ethenyl]-2-(3-oxopropyl)octa-4,6-dienamide.

Molecular Properties

Compound Name(4E)-3-imino-N,7-dimethyl-4-[1-(methylamino)ethenyl]-2-(3-oxopropyl)octa-4,6-dienamide
PubChem CID177339100
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name(4E)-3-imino-N,7-dimethyl-4-[1-(methylamino)ethenyl]-2-(3-oxopropyl)octa-4,6-dienamide
SMILES[H]/N=C(C(=C/C=C(C)C)/C(=C)NC)\C(CCC=O)C(=O)NC
InChIInChI=1S/C16H25N3O2/c1-11(2)8-9-13(12(3)18-4)15(17)14(7-6-10-20)16(21)19-5/h8-10,14,17-18H,3,6-7H2,1-2,4-5H3,(H,19,21)/b13-9+,17-15-
InChIKeyJHNUCNYWWWBMON-UYVUBNSVSA-N
XLogP1.97
TPSA82.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4E)-3-imino-N,7-dimethyl-4-[1-(methylamino)ethenyl]-2-(3-oxopropyl)octa-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

N,2-dimethyl-5-oxopentanamide
CID 20693317
2-imino-3-methyl-N-(4-oxobutyl)butanamide
CID 143685518
2-ethyl-N-methyl-5-oxopentanamide
CID 145371597
N-methyl-2-(3-oxopropyl)pent-4-enamide
CID 142360160
2-[formyl(methyl)amino]-N-methyl-5-oxopentanamide
CID 142365578
2-[[ethyl(methyl)amino]methyl]-N-methyl-5-oxopentanamide
CID 143767998
4-(ethylamino)-5-oxohexanal
CID 155034018
2-[(3E,4E)-3-ethylidene-4-(4-methylpent-1-en-3-ylidene)-2,5-dioxopyrrolidin-1-yl]-N-methyl-5-oxopentanamide;fluoromethane
CID 163222646
2-anilino-N-methyl-5-oxopentanamide;ethylphosphane
CID 170749132
N-[(3S)-2-(dimethylamino)-6-oxohex-1-en-3-yl]acetamide
CID 167167888
N-(2,6-dioxohexan-3-yl)propanamide
CID 177190618
3-(3-iminopropyl)pentane-2,4-dione
CID 88727251

Frequently Asked Questions

What is the IUPAC name of (4E)-3-imino-N,7-dimethyl-4-[1-(methylamino)ethenyl]-2-(3-oxopropyl)octa-4,6-dienamide?
The IUPAC name of (4E)-3-imino-N,7-dimethyl-4-[1-(methylamino)ethenyl]-2-(3-oxopropyl)octa-4,6-dienamide (CID 177339100) is (4E)-3-imino-N,7-dimethyl-4-[1-(methylamino)ethenyl]-2-(3-oxopropyl)octa-4,6-dienamide.
What is the SMILES notation for (4E)-3-imino-N,7-dimethyl-4-[1-(methylamino)ethenyl]-2-(3-oxopropyl)octa-4,6-dienamide?
The canonical SMILES for (4E)-3-imino-N,7-dimethyl-4-[1-(methylamino)ethenyl]-2-(3-oxopropyl)octa-4,6-dienamide is [H]/N=C(C(=C/C=C(C)C)/C(=C)NC)\C(CCC=O)C(=O)NC.
What is the InChIKey of (4E)-3-imino-N,7-dimethyl-4-[1-(methylamino)ethenyl]-2-(3-oxopropyl)octa-4,6-dienamide?
The InChIKey is JHNUCNYWWWBMON-UYVUBNSVSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-11(2)8-9-13(12(3)18-4)15(17)14(7-6-10-20)16(21)19-5/h8-10,14,17-18H,3,6-7H2,1-2,4-5H3,(H,19,21)/b13-9+,17-15-.
What are the key properties of (4E)-3-imino-N,7-dimethyl-4-[1-(methylamino)ethenyl]-2-(3-oxopropyl)octa-4,6-dienamide?
(4E)-3-imino-N,7-dimethyl-4-[1-(methylamino)ethenyl]-2-(3-oxopropyl)octa-4,6-dienamide has a molecular weight of 291.39 g/mol, XLogP of 1.97, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-3-imino-N,7-dimethyl-4-[1-(methylamino)ethenyl]-2-(3-oxopropyl)octa-4,6-dienamide is sourced from PubChem (CID 177339100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).