N-benzyl-N-(2-phenylethyl)cyclohex-3-ene-1-carboxamide

C22H25NO — CID 112791258

IUPACN-benzyl-N-(2-phenylethyl)cyclohex-3-ene-1-carboxamide
SMILESO=C(C1CC=CCC1)N(CCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C22H25NO/c24-22(21-14-8-3-9-15-21)23(18-20-12-6-2-7-13-20)17-16-19-10-4-1-5-11-19/h1-8,10-13,21H,9,14-18H2
InChIKeySCJHIOSOGKLCPE-UHFFFAOYSA-N
MW319.45 g/mol
LogP4.61
Rot. Bonds6

About N-benzyl-N-(2-phenylethyl)cyclohex-3-ene-1-carboxamide

N-benzyl-N-(2-phenylethyl)cyclohex-3-ene-1-carboxamide (PubChem CID 112791258) has the molecular formula C22H25NO and a molecular weight of 319.45 g/mol. Its IUPAC name is N-benzyl-N-(2-phenylethyl)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-(2-phenylethyl)cyclohex-3-ene-1-carboxamide
PubChem CID112791258
Molecular FormulaC22H25NO
Molecular Weight319.45 g/mol
Exact Mass319.19
IUPAC NameN-benzyl-N-(2-phenylethyl)cyclohex-3-ene-1-carboxamide
SMILESO=C(C1CC=CCC1)N(CCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C22H25NO/c24-22(21-14-8-3-9-15-21)23(18-20-12-6-2-7-13-20)17-16-19-10-4-1-5-11-19/h1-8,10-13,21H,9,14-18H2
InChIKeySCJHIOSOGKLCPE-UHFFFAOYSA-N
XLogP4.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-N-benzylcyclohex-3-ene-1-carboxamide
CID 107365878
(1R)-N-(2-phenylethyl)-N-propan-2-ylcyclohex-3-ene-1-carboxamide
CID 95220593
3-amino-N-benzyl-N-(2-phenylethyl)cyclopentane-1-carboxamide
CID 119675945
N-(2-phenylethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]cyclohexanecarboxamide
CID 42698365
trans-(1R,3R)-N-benzyl-3-methyl-4-oxo-N-(2-phenylethyl)cyclohexane-1-carboxamide
CID 97248670
N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)cyclohex-3-ene-1-carboxamide
CID 60592086
N,N-dibenzylcyclohexanecarboxamide
CID 1371794
N-benzyl-1-[(2-hydroxyphenyl)methyl]-N-(2-phenylethyl)piperidin-1-ium-4-carboxamide
CID 7299697
N-(2-aminoethyl)-N-benzylcycloheptanecarboxamide
CID 62585571
2-[cyclobutanecarbonyl(2-phenylethyl)amino]acetic acid
CID 119347597
N-benzyl-N-[2-(dimethylamino)ethyl]cyclopropanecarboxamide
CID 60666282
N-(furan-3-ylmethyl)-N-(2-methoxyethyl)cyclohex-3-ene-1-carboxamide
CID 71803992

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-phenylethyl)cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-benzyl-N-(2-phenylethyl)cyclohex-3-ene-1-carboxamide (CID 112791258) is N-benzyl-N-(2-phenylethyl)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-benzyl-N-(2-phenylethyl)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-benzyl-N-(2-phenylethyl)cyclohex-3-ene-1-carboxamide is O=C(C1CC=CCC1)N(CCc1ccccc1)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-(2-phenylethyl)cyclohex-3-ene-1-carboxamide?
The InChIKey is SCJHIOSOGKLCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO/c24-22(21-14-8-3-9-15-21)23(18-20-12-6-2-7-13-20)17-16-19-10-4-1-5-11-19/h1-8,10-13,21H,9,14-18H2.
What are the key properties of N-benzyl-N-(2-phenylethyl)cyclohex-3-ene-1-carboxamide?
N-benzyl-N-(2-phenylethyl)cyclohex-3-ene-1-carboxamide has a molecular weight of 319.45 g/mol, XLogP of 4.61, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-phenylethyl)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 112791258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).