N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-1-(2-methylphenyl)cyclohexane-1-carboxamide

C21H32N2O2 — CID 86875763

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-1-(2-methylphenyl)cyclohexane-1-carboxamide
SMILESCc1ccccc1C1(C(=O)N(C)CC(=O)NC(C)(C)C)CCCCC1
InChIInChI=1S/C21H32N2O2/c1-16-11-7-8-12-17(16)21(13-9-6-10-14-21)19(25)23(5)15-18(24)22-20(2,3)4/h7-8,11-12H,6,9-10,13-15H2,1-5H3,(H,22,24)
InChIKeyJPVPBCDNCIOJGB-UHFFFAOYSA-N
MW344.50 g/mol
LogP3.57
Rot. Bonds4

About N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-1-(2-methylphenyl)cyclohexane-1-carboxamide

N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-1-(2-methylphenyl)cyclohexane-1-carboxamide (PubChem CID 86875763) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-1-(2-methylphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-1-(2-methylphenyl)cyclohexane-1-carboxamide
PubChem CID86875763
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-1-(2-methylphenyl)cyclohexane-1-carboxamide
SMILESCc1ccccc1C1(C(=O)N(C)CC(=O)NC(C)(C)C)CCCCC1
InChIInChI=1S/C21H32N2O2/c1-16-11-7-8-12-17(16)21(13-9-6-10-14-21)19(25)23(5)15-18(24)22-20(2,3)4/h7-8,11-12H,6,9-10,13-15H2,1-5H3,(H,22,24)
InChIKeyJPVPBCDNCIOJGB-UHFFFAOYSA-N
XLogP3.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-1-(2-methylphenyl)cyclohexane-1-carboxamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-1-(2-methylphenyl)cyclohexane-1-carboxamide (CID 86875763) is N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-1-(2-methylphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-1-(2-methylphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-1-(2-methylphenyl)cyclohexane-1-carboxamide is Cc1ccccc1C1(C(=O)N(C)CC(=O)NC(C)(C)C)CCCCC1.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-1-(2-methylphenyl)cyclohexane-1-carboxamide?
The InChIKey is JPVPBCDNCIOJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-16-11-7-8-12-17(16)21(13-9-6-10-14-21)19(25)23(5)15-18(24)22-20(2,3)4/h7-8,11-12H,6,9-10,13-15H2,1-5H3,(H,22,24).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-1-(2-methylphenyl)cyclohexane-1-carboxamide?
N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-1-(2-methylphenyl)cyclohexane-1-carboxamide has a molecular weight of 344.50 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-1-(2-methylphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 86875763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).