1-N-(2-tert-butylphenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide

C21H32N2O2 — CID 109144561

IUPAC1-N-(2-tert-butylphenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
SMILESCC(C)NC(=O)C1CCC(C(=O)Nc2ccccc2C(C)(C)C)CC1
InChIInChI=1S/C21H32N2O2/c1-14(2)22-19(24)15-10-12-16(13-11-15)20(25)23-18-9-7-6-8-17(18)21(3,4)5/h6-9,14-16H,10-13H2,1-5H3,(H,22,24)(H,23,25)
InChIKeyYBPAVZIWQKOUNH-UHFFFAOYSA-N
MW344.50 g/mol
LogP4.25
Rot. Bonds4

About 1-N-(2-tert-butylphenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide

1-N-(2-tert-butylphenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide (PubChem CID 109144561) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 1-N-(2-tert-butylphenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(2-tert-butylphenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
PubChem CID109144561
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC Name1-N-(2-tert-butylphenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
SMILESCC(C)NC(=O)C1CCC(C(=O)Nc2ccccc2C(C)(C)C)CC1
InChIInChI=1S/C21H32N2O2/c1-14(2)22-19(24)15-10-12-16(13-11-15)20(25)23-18-9-7-6-8-17(18)21(3,4)5/h6-9,14-16H,10-13H2,1-5H3,(H,22,24)(H,23,25)
InChIKeyYBPAVZIWQKOUNH-UHFFFAOYSA-N
XLogP4.25
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-tert-butylphenyl)cyclopentanecarboxamide
CID 7688669
4-N-propan-2-yl-1-N-(2-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide
CID 109144556
1-N-(2-bromophenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109144612
N-(2-tert-butylphenyl)-1-methylpiperidine-4-carboxamide
CID 110693521
1-N-(2-methoxyphenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109144578
1-acetyl-N-(2-tert-butylphenyl)piperidine-4-carboxamide
CID 110686050
N-[2-(2-tert-butylanilino)-2-oxoethyl]cyclobutanecarboxamide
CID 112997525
2-[(2-tert-butylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 22688945
N-(2-tert-butylphenyl)-1-methylpiperidine-2-carboxamide
CID 110858395
(2R)-N-(2-tert-butylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119399894
1-N-[4-chloro-2-(trifluoromethyl)phenyl]-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109144626
1-acetyl-N-(2-tert-butylphenyl)piperidine-3-carboxamide
CID 110686139

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-tert-butylphenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide?
The IUPAC name of 1-N-(2-tert-butylphenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide (CID 109144561) is 1-N-(2-tert-butylphenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(2-tert-butylphenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide?
The canonical SMILES for 1-N-(2-tert-butylphenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide is CC(C)NC(=O)C1CCC(C(=O)Nc2ccccc2C(C)(C)C)CC1.
What is the InChIKey of 1-N-(2-tert-butylphenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide?
The InChIKey is YBPAVZIWQKOUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-14(2)22-19(24)15-10-12-16(13-11-15)20(25)23-18-9-7-6-8-17(18)21(3,4)5/h6-9,14-16H,10-13H2,1-5H3,(H,22,24)(H,23,25).
What are the key properties of 1-N-(2-tert-butylphenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide?
1-N-(2-tert-butylphenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide has a molecular weight of 344.50 g/mol, XLogP of 4.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-tert-butylphenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109144561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).