N-[2,6-di(propan-2-yl)phenyl]-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide

C24H36N2O2 — CID 109145734

IUPACN-[2,6-di(propan-2-yl)phenyl]-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)C1CCC(C(=O)N2CCCC2)CC1
InChIInChI=1S/C24H36N2O2/c1-16(2)20-8-7-9-21(17(3)4)22(20)25-23(27)18-10-12-19(13-11-18)24(28)26-14-5-6-15-26/h7-9,16-19H,5-6,10-15H2,1-4H3,(H,25,27)
InChIKeyBAYUTXBVNXQGSP-UHFFFAOYSA-N
MW384.56 g/mol
LogP5.30
Rot. Bonds5

About N-[2,6-di(propan-2-yl)phenyl]-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide

N-[2,6-di(propan-2-yl)phenyl]-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide (PubChem CID 109145734) has the molecular formula C24H36N2O2 and a molecular weight of 384.56 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
PubChem CID109145734
Molecular FormulaC24H36N2O2
Molecular Weight384.56 g/mol
Exact Mass384.28
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)C1CCC(C(=O)N2CCCC2)CC1
InChIInChI=1S/C24H36N2O2/c1-16(2)20-8-7-9-21(17(3)4)22(20)25-23(27)18-10-12-19(13-11-18)24(28)26-14-5-6-15-26/h7-9,16-19H,5-6,10-15H2,1-4H3,(H,25,27)
InChIKeyBAYUTXBVNXQGSP-UHFFFAOYSA-N
XLogP5.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.56
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2,6-di(propan-2-yl)phenyl]cyclohexanecarboxamide
CID 729635
N-[2,6-di(propan-2-yl)phenyl]-1-propanoylpiperidine-4-carboxamide
CID 113008342
4-(4-methylpiperidine-1-carbonyl)-N-(2-propan-2-ylphenyl)cyclohexane-1-carboxamide
CID 109146286
N-[2,6-di(propan-2-yl)phenyl]oxane-4-carboxamide
CID 31962742
1-benzoyl-N-[2,6-di(propan-2-yl)phenyl]piperidine-4-carboxamide
CID 113008347
1-(oxane-4-carbonyl)-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide
CID 113006797
4-(4-ethylpiperazine-1-carbonyl)-N-(2-propan-2-ylphenyl)cyclohexane-1-carboxamide
CID 109147545
4-(4-acetylpiperazine-1-carbonyl)-N-(2,6-difluorophenyl)cyclohexane-1-carboxamide
CID 109147743
4-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120672180
N-(2,3-dimethylphenyl)-4-(piperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146000
N-(2,6-difluorophenyl)-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109150123
N-[2,6-di(propan-2-yl)phenyl]-2-(3-methylpiperidin-1-yl)-2-oxoacetamide
CID 108986491

Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide (CID 109145734) is N-[2,6-di(propan-2-yl)phenyl]-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide is CC(C)c1cccc(C(C)C)c1NC(=O)C1CCC(C(=O)N2CCCC2)CC1.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide?
The InChIKey is BAYUTXBVNXQGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O2/c1-16(2)20-8-7-9-21(17(3)4)22(20)25-23(27)18-10-12-19(13-11-18)24(28)26-14-5-6-15-26/h7-9,16-19H,5-6,10-15H2,1-4H3,(H,25,27).
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide?
N-[2,6-di(propan-2-yl)phenyl]-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide has a molecular weight of 384.56 g/mol, XLogP of 5.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 109145734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).