N-[2-[3-(4-propan-2-ylphenyl)propanoylamino]ethyl]cyclohexanecarboxamide

C21H32N2O2 — CID 55806046

IUPACN-[2-[3-(4-propan-2-ylphenyl)propanoylamino]ethyl]cyclohexanecarboxamide
SMILESCC(C)c1ccc(CCC(=O)NCCNC(=O)C2CCCCC2)cc1
InChIInChI=1S/C21H32N2O2/c1-16(2)18-11-8-17(9-12-18)10-13-20(24)22-14-15-23-21(25)19-6-4-3-5-7-19/h8-9,11-12,16,19H,3-7,10,13-15H2,1-2H3,(H,22,24)(H,23,25)
InChIKeySWKIRMLGBULIAL-UHFFFAOYSA-N
MW344.50 g/mol
LogP3.56
Rot. Bonds8

About N-[2-[3-(4-propan-2-ylphenyl)propanoylamino]ethyl]cyclohexanecarboxamide

N-[2-[3-(4-propan-2-ylphenyl)propanoylamino]ethyl]cyclohexanecarboxamide (PubChem CID 55806046) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is N-[2-[3-(4-propan-2-ylphenyl)propanoylamino]ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-[3-(4-propan-2-ylphenyl)propanoylamino]ethyl]cyclohexanecarboxamide
PubChem CID55806046
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC NameN-[2-[3-(4-propan-2-ylphenyl)propanoylamino]ethyl]cyclohexanecarboxamide
SMILESCC(C)c1ccc(CCC(=O)NCCNC(=O)C2CCCCC2)cc1
InChIInChI=1S/C21H32N2O2/c1-16(2)18-11-8-17(9-12-18)10-13-20(24)22-14-15-23-21(25)19-6-4-3-5-7-19/h8-9,11-12,16,19H,3-7,10,13-15H2,1-2H3,(H,22,24)(H,23,25)
InChIKeySWKIRMLGBULIAL-UHFFFAOYSA-N
XLogP3.56
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[3-(3,4-dimethoxyphenyl)propanoylamino]ethyl]cyclohexanecarboxamide
CID 108538969
N-[2-(ethylamino)ethyl]-3-(4-propan-2-ylphenyl)propanamide
CID 119509353
N-cyclopentyl-3-(4-propan-2-ylphenyl)propanamide
CID 19221387
N-[2-(3-phenylpropanoylamino)ethyl]cyclopropanecarboxamide
CID 51165684
4-[3-(4-propan-2-ylphenyl)propylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673587
N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]cyclohexanecarboxamide
CID 112997174
N-[3-(4-propan-2-ylphenyl)propyl]piperidine-3-carboxamide
CID 119322605
N-[2-(4-aminophenyl)ethyl]cyclohexanecarboxamide;hydrochloride
CID 119260663
N-[2-(4-hydroxyphenyl)ethyl]cyclooctanecarboxamide
CID 65023099
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]cyclopentanecarboxamide
CID 119525287
N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]cyclohexanecarboxamide
CID 108538634
N-methyl-3-(4-propan-2-ylphenyl)propanamide
CID 41455606

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(4-propan-2-ylphenyl)propanoylamino]ethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-[3-(4-propan-2-ylphenyl)propanoylamino]ethyl]cyclohexanecarboxamide (CID 55806046) is N-[2-[3-(4-propan-2-ylphenyl)propanoylamino]ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-[3-(4-propan-2-ylphenyl)propanoylamino]ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-[3-(4-propan-2-ylphenyl)propanoylamino]ethyl]cyclohexanecarboxamide is CC(C)c1ccc(CCC(=O)NCCNC(=O)C2CCCCC2)cc1.
What is the InChIKey of N-[2-[3-(4-propan-2-ylphenyl)propanoylamino]ethyl]cyclohexanecarboxamide?
The InChIKey is SWKIRMLGBULIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-16(2)18-11-8-17(9-12-18)10-13-20(24)22-14-15-23-21(25)19-6-4-3-5-7-19/h8-9,11-12,16,19H,3-7,10,13-15H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-[2-[3-(4-propan-2-ylphenyl)propanoylamino]ethyl]cyclohexanecarboxamide?
N-[2-[3-(4-propan-2-ylphenyl)propanoylamino]ethyl]cyclohexanecarboxamide has a molecular weight of 344.50 g/mol, XLogP of 3.56, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(4-propan-2-ylphenyl)propanoylamino]ethyl]cyclohexanecarboxamide is sourced from PubChem (CID 55806046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).