N-[4-(1-bicyclo[4.1.0]hepta-2,4-dienyl)butyl]-6-methylbicyclo[4.1.0]hepta-2,4-diene-3-carboxamide;molecular hydrogen

C20H27NO — CID 142923253

IUPACN-[4-(1-bicyclo[4.1.0]hepta-2,4-dienyl)butyl]-6-methylbicyclo[4.1.0]hepta-2,4-diene-3-carboxamide;molecular hydrogen
SMILESCC12C=CC(C(=O)NCCCCC34C=CC=CC3C4)=CC1C2.[H][H]
InChIInChI=1S/C20H25NO.H2/c1-19-10-7-15(12-17(19)13-19)18(22)21-11-5-4-9-20-8-3-2-6-16(20)14-20;/h2-3,6-8,10,12,16-17H,4-5,9,11,13-14H2,1H3,(H,21,22);1H
InChIKeyYZBDQCVBAAHCRX-UHFFFAOYSA-N
MW297.44 g/mol
LogP4.17
Rot. Bonds6

About N-[4-(1-bicyclo[4.1.0]hepta-2,4-dienyl)butyl]-6-methylbicyclo[4.1.0]hepta-2,4-diene-3-carboxamide;molecular hydrogen

N-[4-(1-bicyclo[4.1.0]hepta-2,4-dienyl)butyl]-6-methylbicyclo[4.1.0]hepta-2,4-diene-3-carboxamide;molecular hydrogen (PubChem CID 142923253) has the molecular formula C20H27NO and a molecular weight of 297.44 g/mol. Its IUPAC name is N-[4-(1-bicyclo[4.1.0]hepta-2,4-dienyl)butyl]-6-methylbicyclo[4.1.0]hepta-2,4-diene-3-carboxamide;molecular hydrogen.

Molecular Properties

Compound NameN-[4-(1-bicyclo[4.1.0]hepta-2,4-dienyl)butyl]-6-methylbicyclo[4.1.0]hepta-2,4-diene-3-carboxamide;molecular hydrogen
PubChem CID142923253
Molecular FormulaC20H27NO
Molecular Weight297.44 g/mol
Exact Mass297.21
IUPAC NameN-[4-(1-bicyclo[4.1.0]hepta-2,4-dienyl)butyl]-6-methylbicyclo[4.1.0]hepta-2,4-diene-3-carboxamide;molecular hydrogen
SMILESCC12C=CC(C(=O)NCCCCC34C=CC=CC3C4)=CC1C2.[H][H]
InChIInChI=1S/C20H25NO.H2/c1-19-10-7-15(12-17(19)13-19)18(22)21-11-5-4-9-20-8-3-2-6-16(20)14-20;/h2-3,6-8,10,12,16-17H,4-5,9,11,13-14H2,1H3,(H,21,22);1H
InChIKeyYZBDQCVBAAHCRX-UHFFFAOYSA-N
XLogP4.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[4-(1-bicyclo[4.1.0]hepta-2,4-dienyl)butyl]-6-methylbicyclo[4.1.0]hepta-2,4-diene-3-carboxamide;molecular hydrogen 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

(1E,5Z,7Z)-N-[6-(ethylamino)hexyl]cycloocta-1,5,7-triene-1-carboxamide;molecular hydrogen
CID 169208625
(1E,5Z,7Z)-N-(6-hydrazinylhexyl)cycloocta-1,5,7-triene-1-carboxamide
CID 177166188
[1-[7-[(2-methylpropan-2-yl)oxycarbonylamino]heptyl]-6-oxocyclohexa-2,4-dien-1-yl] acetate
CID 134873743
1-N-heptyl-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-dicarboxamide
CID 142858822
N-(3-aminopropyl)cyclooctatetraenecarboxamide
CID 172858129
5-methyl-N-[6-[(5-methylpyrazine-2-carbonyl)amino]hexyl]pyrazine-2-carboxamide
CID 4963664
4,5,5-trimethyl-2-oxo-N-[6-[(4,5,5-trimethyl-2-oxofuran-3-carbonyl)amino]hexyl]furan-3-carboxamide
CID 102518239
N-[6-[(3-hydroxy-5,5-dimethylcyclohex-2-en-1-yl)amino]-6-oxohexyl]benzamide
CID 167803950
CID 178010966
CID 178010966
7-[(4-methylbenzoyl)amino]heptanoic acid
CID 24695278
2-[[1-(hydroxymethyl)cyclohexyl]methylamino]-N-(3-methoxypropyl)propanamide
CID 103966438
N-[8-[(3,5-dinitrobenzoyl)amino]octyl]-3,5-dinitrobenzamide
CID 4596200

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-bicyclo[4.1.0]hepta-2,4-dienyl)butyl]-6-methylbicyclo[4.1.0]hepta-2,4-diene-3-carboxamide;molecular hydrogen?
The IUPAC name of N-[4-(1-bicyclo[4.1.0]hepta-2,4-dienyl)butyl]-6-methylbicyclo[4.1.0]hepta-2,4-diene-3-carboxamide;molecular hydrogen (CID 142923253) is N-[4-(1-bicyclo[4.1.0]hepta-2,4-dienyl)butyl]-6-methylbicyclo[4.1.0]hepta-2,4-diene-3-carboxamide;molecular hydrogen.
What is the SMILES notation for N-[4-(1-bicyclo[4.1.0]hepta-2,4-dienyl)butyl]-6-methylbicyclo[4.1.0]hepta-2,4-diene-3-carboxamide;molecular hydrogen?
The canonical SMILES for N-[4-(1-bicyclo[4.1.0]hepta-2,4-dienyl)butyl]-6-methylbicyclo[4.1.0]hepta-2,4-diene-3-carboxamide;molecular hydrogen is CC12C=CC(C(=O)NCCCCC34C=CC=CC3C4)=CC1C2.[H][H].
What is the InChIKey of N-[4-(1-bicyclo[4.1.0]hepta-2,4-dienyl)butyl]-6-methylbicyclo[4.1.0]hepta-2,4-diene-3-carboxamide;molecular hydrogen?
The InChIKey is YZBDQCVBAAHCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO.H2/c1-19-10-7-15(12-17(19)13-19)18(22)21-11-5-4-9-20-8-3-2-6-16(20)14-20;/h2-3,6-8,10,12,16-17H,4-5,9,11,13-14H2,1H3,(H,21,22);1H.
What are the key properties of N-[4-(1-bicyclo[4.1.0]hepta-2,4-dienyl)butyl]-6-methylbicyclo[4.1.0]hepta-2,4-diene-3-carboxamide;molecular hydrogen?
N-[4-(1-bicyclo[4.1.0]hepta-2,4-dienyl)butyl]-6-methylbicyclo[4.1.0]hepta-2,4-diene-3-carboxamide;molecular hydrogen has a molecular weight of 297.44 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-bicyclo[4.1.0]hepta-2,4-dienyl)butyl]-6-methylbicyclo[4.1.0]hepta-2,4-diene-3-carboxamide;molecular hydrogen is sourced from PubChem (CID 142923253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).