4-tert-butyl-N-[2-methyl-5-(propanoylamino)phenyl]cyclohexane-1-carboxamide

C21H32N2O2 — CID 46467347

IUPAC4-tert-butyl-N-[2-methyl-5-(propanoylamino)phenyl]cyclohexane-1-carboxamide
SMILESCCC(=O)Nc1ccc(C)c(NC(=O)C2CCC(C(C)(C)C)CC2)c1
InChIInChI=1S/C21H32N2O2/c1-6-19(24)22-17-12-7-14(2)18(13-17)23-20(25)15-8-10-16(11-9-15)21(3,4)5/h7,12-13,15-16H,6,8-11H2,1-5H3,(H,22,24)(H,23,25)
InChIKeyLIXFIWRWRJYCQN-UHFFFAOYSA-N
MW344.50 g/mol
LogP5.13
Rot. Bonds4

About 4-tert-butyl-N-[2-methyl-5-(propanoylamino)phenyl]cyclohexane-1-carboxamide

4-tert-butyl-N-[2-methyl-5-(propanoylamino)phenyl]cyclohexane-1-carboxamide (PubChem CID 46467347) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-methyl-5-(propanoylamino)phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-N-[2-methyl-5-(propanoylamino)phenyl]cyclohexane-1-carboxamide
PubChem CID46467347
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC Name4-tert-butyl-N-[2-methyl-5-(propanoylamino)phenyl]cyclohexane-1-carboxamide
SMILESCCC(=O)Nc1ccc(C)c(NC(=O)C2CCC(C(C)(C)C)CC2)c1
InChIInChI=1S/C21H32N2O2/c1-6-19(24)22-17-12-7-14(2)18(13-17)23-20(25)15-8-10-16(11-9-15)21(3,4)5/h7,12-13,15-16H,6,8-11H2,1-5H3,(H,22,24)(H,23,25)
InChIKeyLIXFIWRWRJYCQN-UHFFFAOYSA-N
XLogP5.13
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.50
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-methyl-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]phenyl]cyclopropanecarboxamide
CID 54845201
N-[2-methyl-5-(tetradecanoylamino)phenyl]cyclopropanecarboxamide
CID 54791838
1-(2-methylbenzoyl)-N-[2-methyl-5-(propanoylamino)phenyl]piperidine-4-carboxamide
CID 131917959
N-[3-[[2-(4-tert-butylanilino)-2-oxoethyl]amino]-4-methylphenyl]cyclopropanecarboxamide
CID 55898202
4-[[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120673576
N-[3-[(2-bromoacetyl)amino]-4-methylphenyl]propanamide
CID 63680059
N-[5-(2,2-dimethylpropanoylamino)-2-methylphenyl]piperidine-4-carboxamide
CID 119321946
N-(5-acetamido-2-methylphenyl)cyclopentanecarboxamide
CID 46455101
2-methyl-2-(methylamino)-N-[2-methyl-5-(propanoylamino)phenyl]propanamide
CID 62836559
1-(2,4-difluorobenzoyl)-N-[2-methyl-5-(propanoylamino)phenyl]piperidine-4-carboxamide
CID 46487334
N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]piperidine-4-carboxamide
CID 119321965
N-[3-[[2-(3-ethylanilino)-2-oxoethyl]amino]-4-methylphenyl]cyclopropanecarboxamide
CID 55896924

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-methyl-5-(propanoylamino)phenyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-tert-butyl-N-[2-methyl-5-(propanoylamino)phenyl]cyclohexane-1-carboxamide (CID 46467347) is 4-tert-butyl-N-[2-methyl-5-(propanoylamino)phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-tert-butyl-N-[2-methyl-5-(propanoylamino)phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-tert-butyl-N-[2-methyl-5-(propanoylamino)phenyl]cyclohexane-1-carboxamide is CCC(=O)Nc1ccc(C)c(NC(=O)C2CCC(C(C)(C)C)CC2)c1.
What is the InChIKey of 4-tert-butyl-N-[2-methyl-5-(propanoylamino)phenyl]cyclohexane-1-carboxamide?
The InChIKey is LIXFIWRWRJYCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-6-19(24)22-17-12-7-14(2)18(13-17)23-20(25)15-8-10-16(11-9-15)21(3,4)5/h7,12-13,15-16H,6,8-11H2,1-5H3,(H,22,24)(H,23,25).
What are the key properties of 4-tert-butyl-N-[2-methyl-5-(propanoylamino)phenyl]cyclohexane-1-carboxamide?
4-tert-butyl-N-[2-methyl-5-(propanoylamino)phenyl]cyclohexane-1-carboxamide has a molecular weight of 344.50 g/mol, XLogP of 5.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-methyl-5-(propanoylamino)phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 46467347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).