2-(cyclohexen-1-yl)-N-[3-[2-(cyclohexen-1-yl)prop-2-enoylamino]propyl]prop-2-enamide

C21H30N2O2 — CID 102343482

IUPAC2-(cyclohexen-1-yl)-N-[3-[2-(cyclohexen-1-yl)prop-2-enoylamino]propyl]prop-2-enamide
SMILESC=C(C(=O)NCCCNC(=O)C(=C)C1=CCCCC1)C1=CCCCC1
InChIInChI=1S/C21H30N2O2/c1-16(18-10-5-3-6-11-18)20(24)22-14-9-15-23-21(25)17(2)19-12-7-4-8-13-19/h10,12H,1-9,11,13-15H2,(H,22,24)(H,23,25)
InChIKeyWEKNATOAMMAGFT-UHFFFAOYSA-N
MW342.48 g/mol
LogP3.72
Rot. Bonds8

About 2-(cyclohexen-1-yl)-N-[3-[2-(cyclohexen-1-yl)prop-2-enoylamino]propyl]prop-2-enamide

2-(cyclohexen-1-yl)-N-[3-[2-(cyclohexen-1-yl)prop-2-enoylamino]propyl]prop-2-enamide (PubChem CID 102343482) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-N-[3-[2-(cyclohexen-1-yl)prop-2-enoylamino]propyl]prop-2-enamide.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-N-[3-[2-(cyclohexen-1-yl)prop-2-enoylamino]propyl]prop-2-enamide
PubChem CID102343482
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC Name2-(cyclohexen-1-yl)-N-[3-[2-(cyclohexen-1-yl)prop-2-enoylamino]propyl]prop-2-enamide
SMILESC=C(C(=O)NCCCNC(=O)C(=C)C1=CCCCC1)C1=CCCCC1
InChIInChI=1S/C21H30N2O2/c1-16(18-10-5-3-6-11-18)20(24)22-14-9-15-23-21(25)17(2)19-12-7-4-8-13-19/h10,12H,1-9,11,13-15H2,(H,22,24)(H,23,25)
InChIKeyWEKNATOAMMAGFT-UHFFFAOYSA-N
XLogP3.72
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-(cyclohexen-1-yl)-N-[3-[2-(cyclohexen-1-yl)prop-2-enoylamino]propyl]prop-2-enamide 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-(cyclohexen-1-yl)-N-propan-2-ylprop-2-enamide
CID 102343479
2-(cyclopenten-1-yl)prop-2-enoic acid
CID 15807267
3-(cyclopenten-1-yl)but-3-en-2-one
CID 130028502
S-octyl 2-(cyclohexen-1-yl)prop-2-enethioate
CID 10493043
hydroxymethyl cyclohexene-1-carboxylate
CID 91001163
N,N-dimethylcyclohexene-1-carboxamide
CID 11019067
1-(cyclohexen-1-yl)ethanone;propane
CID 142317492
[(1E)-3-(cyclohexen-1-yl)-1-iodobuta-1,3-dien-2-yl]-trimethylsilane
CID 135038847
1-(cyclohexen-1-yl)-4-hydroxybutan-1-one
CID 106677690
ethyl cycloundecene-1-carboxylate
CID 154164177
3-(4-aminobutylamino)propyl cyclohexene-1-carboxylate
CID 69484287
1-(cyclohexen-1-yl)hex-5-en-1-one
CID 15531059

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-N-[3-[2-(cyclohexen-1-yl)prop-2-enoylamino]propyl]prop-2-enamide?
The IUPAC name of 2-(cyclohexen-1-yl)-N-[3-[2-(cyclohexen-1-yl)prop-2-enoylamino]propyl]prop-2-enamide (CID 102343482) is 2-(cyclohexen-1-yl)-N-[3-[2-(cyclohexen-1-yl)prop-2-enoylamino]propyl]prop-2-enamide.
What is the SMILES notation for 2-(cyclohexen-1-yl)-N-[3-[2-(cyclohexen-1-yl)prop-2-enoylamino]propyl]prop-2-enamide?
The canonical SMILES for 2-(cyclohexen-1-yl)-N-[3-[2-(cyclohexen-1-yl)prop-2-enoylamino]propyl]prop-2-enamide is C=C(C(=O)NCCCNC(=O)C(=C)C1=CCCCC1)C1=CCCCC1.
What is the InChIKey of 2-(cyclohexen-1-yl)-N-[3-[2-(cyclohexen-1-yl)prop-2-enoylamino]propyl]prop-2-enamide?
The InChIKey is WEKNATOAMMAGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2/c1-16(18-10-5-3-6-11-18)20(24)22-14-9-15-23-21(25)17(2)19-12-7-4-8-13-19/h10,12H,1-9,11,13-15H2,(H,22,24)(H,23,25).
What are the key properties of 2-(cyclohexen-1-yl)-N-[3-[2-(cyclohexen-1-yl)prop-2-enoylamino]propyl]prop-2-enamide?
2-(cyclohexen-1-yl)-N-[3-[2-(cyclohexen-1-yl)prop-2-enoylamino]propyl]prop-2-enamide has a molecular weight of 342.48 g/mol, XLogP of 3.72, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-N-[3-[2-(cyclohexen-1-yl)prop-2-enoylamino]propyl]prop-2-enamide is sourced from PubChem (CID 102343482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).