N'-cyclohexa-1,5-dien-1-yl-N-methylpropanediamide

C10H14N2O2 — CID 143768709

IUPACN'-cyclohexa-1,5-dien-1-yl-N-methylpropanediamide
SMILESCNC(=O)CC(=O)NC1=CCCC=C1
InChIInChI=1S/C10H14N2O2/c1-11-9(13)7-10(14)12-8-5-3-2-4-6-8/h3,5-6H,2,4,7H2,1H3,(H,11,13)(H,12,14)
InChIKeyPMEAALDXTJGDHU-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.47
Rot. Bonds3

About N'-cyclohexa-1,5-dien-1-yl-N-methylpropanediamide

N'-cyclohexa-1,5-dien-1-yl-N-methylpropanediamide (PubChem CID 143768709) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is N'-cyclohexa-1,5-dien-1-yl-N-methylpropanediamide.

Molecular Properties

Compound NameN'-cyclohexa-1,5-dien-1-yl-N-methylpropanediamide
PubChem CID143768709
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC NameN'-cyclohexa-1,5-dien-1-yl-N-methylpropanediamide
SMILESCNC(=O)CC(=O)NC1=CCCC=C1
InChIInChI=1S/C10H14N2O2/c1-11-9(13)7-10(14)12-8-5-3-2-4-6-8/h3,5-6H,2,4,7H2,1H3,(H,11,13)(H,12,14)
InChIKeyPMEAALDXTJGDHU-UHFFFAOYSA-N
XLogP0.47
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

methyl N-cyclohexa-1,5-dien-1-ylcarbamate
CID 145077973
2-amino-N-cyclohexa-1,5-dien-1-yl-2-methylpropanamide
CID 163875393
N-cyclohexa-1,5-dien-1-yl-2-methylprop-2-enamide;molecular hydrogen
CID 144596584
N-(cyclohexa-1,5-dien-1-ylcarbamoyl)-2-methylpropanamide
CID 173224347
1-cyclohexa-1,5-dien-1-yl-3-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]urea
CID 142994053
3-cyclohexa-1,5-dien-1-yl-1-cyclopentyl-1-methylurea
CID 163658126
N-ethylcyclohexa-1,5-dien-1-amine
CID 18448807
N-cyclohexa-1,5-dien-1-yl-2-[4-(4-hydroxy-3-methylphenoxy)-3,5-dimethylphenyl]acetamide
CID 144504798
2-cyclohexa-1,5-dien-1-yl-N-methanethioylacetamide;N-methylmethanamine
CID 143657585
5-N-cyclohexa-1,5-dien-1-yl-1-N,3-N-diphenylbenzene-1,3,5-tricarboxamide
CID 144544325
di(cyclohexa-1,5-dien-1-yl)methanone;ethane
CID 144664025
N-cyclohepta-1,4,6-trien-1-ylacetamide
CID 142183927

Frequently Asked Questions

What is the IUPAC name of N'-cyclohexa-1,5-dien-1-yl-N-methylpropanediamide?
The IUPAC name of N'-cyclohexa-1,5-dien-1-yl-N-methylpropanediamide (CID 143768709) is N'-cyclohexa-1,5-dien-1-yl-N-methylpropanediamide.
What is the SMILES notation for N'-cyclohexa-1,5-dien-1-yl-N-methylpropanediamide?
The canonical SMILES for N'-cyclohexa-1,5-dien-1-yl-N-methylpropanediamide is CNC(=O)CC(=O)NC1=CCCC=C1.
What is the InChIKey of N'-cyclohexa-1,5-dien-1-yl-N-methylpropanediamide?
The InChIKey is PMEAALDXTJGDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-11-9(13)7-10(14)12-8-5-3-2-4-6-8/h3,5-6H,2,4,7H2,1H3,(H,11,13)(H,12,14).
What are the key properties of N'-cyclohexa-1,5-dien-1-yl-N-methylpropanediamide?
N'-cyclohexa-1,5-dien-1-yl-N-methylpropanediamide has a molecular weight of 194.23 g/mol, XLogP of 0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexa-1,5-dien-1-yl-N-methylpropanediamide is sourced from PubChem (CID 143768709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).