N-[(3E)-2-carbamimidoylocta-1,3-dien-4-yl]acetamide

C11H19N3O — CID 171794842

IUPACN-[(3E)-2-carbamimidoylocta-1,3-dien-4-yl]acetamide
SMILES[H]/N=C(\N)C(=C)/C=C(\CCCC)NC(C)=O
InChIInChI=1S/C11H19N3O/c1-4-5-6-10(14-9(3)15)7-8(2)11(12)13/h7H,2,4-6H2,1,3H3,(H3,12,13)(H,14,15)/b10-7+
InChIKeyRPBNBMIXEXIUOL-JXMROGBWSA-N
MW209.29 g/mol
LogP1.69
Rot. Bonds6

About N-[(3E)-2-carbamimidoylocta-1,3-dien-4-yl]acetamide

N-[(3E)-2-carbamimidoylocta-1,3-dien-4-yl]acetamide (PubChem CID 171794842) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is N-[(3E)-2-carbamimidoylocta-1,3-dien-4-yl]acetamide.

Molecular Properties

Compound NameN-[(3E)-2-carbamimidoylocta-1,3-dien-4-yl]acetamide
PubChem CID171794842
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC NameN-[(3E)-2-carbamimidoylocta-1,3-dien-4-yl]acetamide
SMILES[H]/N=C(\N)C(=C)/C=C(\CCCC)NC(C)=O
InChIInChI=1S/C11H19N3O/c1-4-5-6-10(14-9(3)15)7-8(2)11(12)13/h7H,2,4-6H2,1,3H3,(H3,12,13)(H,14,15)/b10-7+
InChIKeyRPBNBMIXEXIUOL-JXMROGBWSA-N
XLogP1.69
TPSA78.97 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N-[(3E)-2-carbamimidoylocta-1,3-dien-4-yl]acetamide 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-iminohexanoic acid
CID 54447751
ethyl (Z)-3-acetamidohex-2-enoate
CID 10726666
N-(acetylcarbamoyl)pentanamide
CID 57354637
methyl (Z)-3-acetamidohex-2-enoate
CID 12859667
N-acetylundecanamide
CID 18949728
acetamide;pentanamide
CID 158041283
2-(pentanoylamino)prop-2-enoic acid
CID 87954179
acetamide;pentanamide;dihydrochloride
CID 141201232
2,4-dioxopentanimidamide
CID 141143667
N-[(2Z)-4-aminopenta-2,4-dien-2-yl]acetamide
CID 139357083
3-methylidenenonan-2-one
CID 3017847
carbamimidoyl pentanoate;copper
CID 175946944

Frequently Asked Questions

What is the IUPAC name of N-[(3E)-2-carbamimidoylocta-1,3-dien-4-yl]acetamide?
The IUPAC name of N-[(3E)-2-carbamimidoylocta-1,3-dien-4-yl]acetamide (CID 171794842) is N-[(3E)-2-carbamimidoylocta-1,3-dien-4-yl]acetamide.
What is the SMILES notation for N-[(3E)-2-carbamimidoylocta-1,3-dien-4-yl]acetamide?
The canonical SMILES for N-[(3E)-2-carbamimidoylocta-1,3-dien-4-yl]acetamide is [H]/N=C(\N)C(=C)/C=C(\CCCC)NC(C)=O.
What is the InChIKey of N-[(3E)-2-carbamimidoylocta-1,3-dien-4-yl]acetamide?
The InChIKey is RPBNBMIXEXIUOL-JXMROGBWSA-N. The full InChI is InChI=1S/C11H19N3O/c1-4-5-6-10(14-9(3)15)7-8(2)11(12)13/h7H,2,4-6H2,1,3H3,(H3,12,13)(H,14,15)/b10-7+.
What are the key properties of N-[(3E)-2-carbamimidoylocta-1,3-dien-4-yl]acetamide?
N-[(3E)-2-carbamimidoylocta-1,3-dien-4-yl]acetamide has a molecular weight of 209.29 g/mol, XLogP of 1.69, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E)-2-carbamimidoylocta-1,3-dien-4-yl]acetamide is sourced from PubChem (CID 171794842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).