2-[(E)-2-cyclohexylethenyl]-N,N-di(propan-2-yl)benzamide

C21H31NO — CID 154706947

IUPAC2-[(E)-2-cyclohexylethenyl]-N,N-di(propan-2-yl)benzamide
SMILESCC(C)N(C(=O)c1ccccc1/C=C/C1CCCCC1)C(C)C
InChIInChI=1S/C21H31NO/c1-16(2)22(17(3)4)21(23)20-13-9-8-12-19(20)15-14-18-10-6-5-7-11-18/h8-9,12-18H,5-7,10-11H2,1-4H3/b15-14+
InChIKeyOAROMSAMTYDQOG-CCEZHUSRSA-N
MW313.49 g/mol
LogP5.54
Rot. Bonds5

About 2-[(E)-2-cyclohexylethenyl]-N,N-di(propan-2-yl)benzamide

2-[(E)-2-cyclohexylethenyl]-N,N-di(propan-2-yl)benzamide (PubChem CID 154706947) has the molecular formula C21H31NO and a molecular weight of 313.49 g/mol. Its IUPAC name is 2-[(E)-2-cyclohexylethenyl]-N,N-di(propan-2-yl)benzamide.

Molecular Properties

Compound Name2-[(E)-2-cyclohexylethenyl]-N,N-di(propan-2-yl)benzamide
PubChem CID154706947
Molecular FormulaC21H31NO
Molecular Weight313.49 g/mol
Exact Mass313.24
IUPAC Name2-[(E)-2-cyclohexylethenyl]-N,N-di(propan-2-yl)benzamide
SMILESCC(C)N(C(=O)c1ccccc1/C=C/C1CCCCC1)C(C)C
InChIInChI=1S/C21H31NO/c1-16(2)22(17(3)4)21(23)20-13-9-8-12-19(20)15-14-18-10-6-5-7-11-18/h8-9,12-18H,5-7,10-11H2,1-4H3/b15-14+
InChIKeyOAROMSAMTYDQOG-CCEZHUSRSA-N
XLogP5.54
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.49
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-[(E)-2-cyclohexylethenyl]-N,N-di(propan-2-yl)benzamide with MolForge

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Related Compounds

2-[(E)-3-methylbut-1-enyl]-N,N-di(propan-2-yl)benzamide
CID 154706946
1-chloro-2-[(E)-2-cyclohexylethenyl]benzene
CID 101186675
N-cyclohexyl-2-[cyclopropyl(methyl)amino]-N-methylbenzamide
CID 174458205
1-[2-[cyclohexyl(methyl)amino]phenyl]ethanone
CID 43176964
2-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-N,N-di(propan-2-yl)benzamide
CID 72890881
2-tert-butylsulfanyl-N,N-di(propan-2-yl)benzamide
CID 10379661
2-(4-methylphenyl)-N,N-di(propan-2-yl)benzamide
CID 11822559
2-[dimethyl(trimethylsilyl)silyl]-N,N-di(propan-2-yl)benzamide
CID 163323510
2-[2-[[2-[2-[di(propan-2-yl)carbamoyl]phenyl]phenyl]diselanyl]phenyl]-N,N-di(propan-2-yl)benzamide
CID 15268349
methyl 2-[(E)-2-(7-methoxy-3,4,5,6-tetrahydro-2H-azepin-6-yl)ethenyl]benzoate
CID 18800850
methyl 2-[2-(7-methoxy-3,4,5,6-tetrahydro-2H-azepin-6-yl)ethenyl]benzoate
CID 54353932
2-[(E)-2-methylpent-2-enoyl]-N,N-di(propan-2-yl)benzamide
CID 10040543

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-cyclohexylethenyl]-N,N-di(propan-2-yl)benzamide?
The IUPAC name of 2-[(E)-2-cyclohexylethenyl]-N,N-di(propan-2-yl)benzamide (CID 154706947) is 2-[(E)-2-cyclohexylethenyl]-N,N-di(propan-2-yl)benzamide.
What is the SMILES notation for 2-[(E)-2-cyclohexylethenyl]-N,N-di(propan-2-yl)benzamide?
The canonical SMILES for 2-[(E)-2-cyclohexylethenyl]-N,N-di(propan-2-yl)benzamide is CC(C)N(C(=O)c1ccccc1/C=C/C1CCCCC1)C(C)C.
What is the InChIKey of 2-[(E)-2-cyclohexylethenyl]-N,N-di(propan-2-yl)benzamide?
The InChIKey is OAROMSAMTYDQOG-CCEZHUSRSA-N. The full InChI is InChI=1S/C21H31NO/c1-16(2)22(17(3)4)21(23)20-13-9-8-12-19(20)15-14-18-10-6-5-7-11-18/h8-9,12-18H,5-7,10-11H2,1-4H3/b15-14+.
What are the key properties of 2-[(E)-2-cyclohexylethenyl]-N,N-di(propan-2-yl)benzamide?
2-[(E)-2-cyclohexylethenyl]-N,N-di(propan-2-yl)benzamide has a molecular weight of 313.49 g/mol, XLogP of 5.54, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-cyclohexylethenyl]-N,N-di(propan-2-yl)benzamide is sourced from PubChem (CID 154706947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).