N-[4-[4-(4-heptylcyclohexyl)phenyl]phenyl]-2-methylprop-2-enamide

C29H39NO — CID 134245611

IUPACN-[4-[4-(4-heptylcyclohexyl)phenyl]phenyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)Nc1ccc(-c2ccc(C3CCC(CCCCCCC)CC3)cc2)cc1
InChIInChI=1S/C29H39NO/c1-4-5-6-7-8-9-23-10-12-24(13-11-23)25-14-16-26(17-15-25)27-18-20-28(21-19-27)30-29(31)22(2)3/h14-21,23-24H,2,4-13H2,1,3H3,(H,30,31)
InChIKeyNKKIKUCKOVUATK-UHFFFAOYSA-N
MW417.64 g/mol
LogP8.50
Rot. Bonds10

About N-[4-[4-(4-heptylcyclohexyl)phenyl]phenyl]-2-methylprop-2-enamide

N-[4-[4-(4-heptylcyclohexyl)phenyl]phenyl]-2-methylprop-2-enamide (PubChem CID 134245611) has the molecular formula C29H39NO and a molecular weight of 417.64 g/mol. Its IUPAC name is N-[4-[4-(4-heptylcyclohexyl)phenyl]phenyl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[4-[4-(4-heptylcyclohexyl)phenyl]phenyl]-2-methylprop-2-enamide
PubChem CID134245611
Molecular FormulaC29H39NO
Molecular Weight417.64 g/mol
Exact Mass417.30
IUPAC NameN-[4-[4-(4-heptylcyclohexyl)phenyl]phenyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)Nc1ccc(-c2ccc(C3CCC(CCCCCCC)CC3)cc2)cc1
InChIInChI=1S/C29H39NO/c1-4-5-6-7-8-9-23-10-12-24(13-11-23)25-14-16-26(17-15-25)27-18-20-28(21-19-27)30-29(31)22(2)3/h14-21,23-24H,2,4-13H2,1,3H3,(H,30,31)
InChIKeyNKKIKUCKOVUATK-UHFFFAOYSA-N
XLogP8.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.64
LogP ≤ 58.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[4-[4-(4-heptylcyclohexyl)phenyl]phenyl]-2-methylprop-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

1-(4-heptylcyclohexyl)-4-[4-(4-heptylcyclohexyl)phenyl]benzene
CID 20538283
1-(4-octylcyclohexyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 20538109
1-(4-hexylcyclohexyl)-4-[4-(4-hexylcyclohexyl)phenyl]benzene
CID 20538420
nitroxyl;1-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]-4-(4-prop-1-en-2-ylphenyl)benzene
CID 142282808
N-[4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]phenyl]prop-2-enamide
CID 135214857
N-[3-[4-(4-heptylcyclohexyl)phenyl]propyl]-2-methylprop-2-enamide
CID 134246486
[4-[4-(4-octylcyclohexyl)phenyl]phenyl] acetate
CID 20539279
1-(4-decylcyclohexyl)-4-(4-methylphenyl)benzene
CID 20539068
4-(4-butylcyclohexyl)-N-[4-(4-methylphenyl)phenyl]benzamide
CID 138461387
N-methyl-4-(4-pentylcyclohexyl)aniline;2-methylprop-2-enal
CID 142281511
1-(4-heptylcyclohexyl)-4-(4-propylphenyl)benzene;N-methylformamide;2-methylprop-1-ene
CID 145235126
1-[4-[4-(4-nonylcyclohexyl)phenyl]phenyl]pentane-1,3-dione
CID 20503090

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(4-heptylcyclohexyl)phenyl]phenyl]-2-methylprop-2-enamide?
The IUPAC name of N-[4-[4-(4-heptylcyclohexyl)phenyl]phenyl]-2-methylprop-2-enamide (CID 134245611) is N-[4-[4-(4-heptylcyclohexyl)phenyl]phenyl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[4-[4-(4-heptylcyclohexyl)phenyl]phenyl]-2-methylprop-2-enamide?
The canonical SMILES for N-[4-[4-(4-heptylcyclohexyl)phenyl]phenyl]-2-methylprop-2-enamide is C=C(C)C(=O)Nc1ccc(-c2ccc(C3CCC(CCCCCCC)CC3)cc2)cc1.
What is the InChIKey of N-[4-[4-(4-heptylcyclohexyl)phenyl]phenyl]-2-methylprop-2-enamide?
The InChIKey is NKKIKUCKOVUATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39NO/c1-4-5-6-7-8-9-23-10-12-24(13-11-23)25-14-16-26(17-15-25)27-18-20-28(21-19-27)30-29(31)22(2)3/h14-21,23-24H,2,4-13H2,1,3H3,(H,30,31).
What are the key properties of N-[4-[4-(4-heptylcyclohexyl)phenyl]phenyl]-2-methylprop-2-enamide?
N-[4-[4-(4-heptylcyclohexyl)phenyl]phenyl]-2-methylprop-2-enamide has a molecular weight of 417.64 g/mol, XLogP of 8.50, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(4-heptylcyclohexyl)phenyl]phenyl]-2-methylprop-2-enamide is sourced from PubChem (CID 134245611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).