N-(4,4-dimethyl-2-phenylcyclohexyl)-3-(1,3-thiazol-4-yl)propanamide

C20H26N2OS — CID 155961919

IUPACN-(4,4-dimethyl-2-phenylcyclohexyl)-3-(1,3-thiazol-4-yl)propanamide
SMILESCC1(C)CCC(NC(=O)CCc2cscn2)C(c2ccccc2)C1
InChIInChI=1S/C20H26N2OS/c1-20(2)11-10-18(17(12-20)15-6-4-3-5-7-15)22-19(23)9-8-16-13-24-14-21-16/h3-7,13-14,17-18H,8-12H2,1-2H3,(H,22,23)
InChIKeyMQHAAWUKPKKHGW-UHFFFAOYSA-N
MW342.51 g/mol
LogP4.55
Rot. Bonds5

About N-(4,4-dimethyl-2-phenylcyclohexyl)-3-(1,3-thiazol-4-yl)propanamide

N-(4,4-dimethyl-2-phenylcyclohexyl)-3-(1,3-thiazol-4-yl)propanamide (PubChem CID 155961919) has the molecular formula C20H26N2OS and a molecular weight of 342.51 g/mol. Its IUPAC name is N-(4,4-dimethyl-2-phenylcyclohexyl)-3-(1,3-thiazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(4,4-dimethyl-2-phenylcyclohexyl)-3-(1,3-thiazol-4-yl)propanamide
PubChem CID155961919
Molecular FormulaC20H26N2OS
Molecular Weight342.51 g/mol
Exact Mass342.18
IUPAC NameN-(4,4-dimethyl-2-phenylcyclohexyl)-3-(1,3-thiazol-4-yl)propanamide
SMILESCC1(C)CCC(NC(=O)CCc2cscn2)C(c2ccccc2)C1
InChIInChI=1S/C20H26N2OS/c1-20(2)11-10-18(17(12-20)15-6-4-3-5-7-15)22-19(23)9-8-16-13-24-14-21-16/h3-7,13-14,17-18H,8-12H2,1-2H3,(H,22,23)
InChIKeyMQHAAWUKPKKHGW-UHFFFAOYSA-N
XLogP4.55
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.51
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethyl-2-phenylcyclohexyl)-3-(1,3-thiazol-4-yl)propanamide?
The IUPAC name of N-(4,4-dimethyl-2-phenylcyclohexyl)-3-(1,3-thiazol-4-yl)propanamide (CID 155961919) is N-(4,4-dimethyl-2-phenylcyclohexyl)-3-(1,3-thiazol-4-yl)propanamide.
What is the SMILES notation for N-(4,4-dimethyl-2-phenylcyclohexyl)-3-(1,3-thiazol-4-yl)propanamide?
The canonical SMILES for N-(4,4-dimethyl-2-phenylcyclohexyl)-3-(1,3-thiazol-4-yl)propanamide is CC1(C)CCC(NC(=O)CCc2cscn2)C(c2ccccc2)C1.
What is the InChIKey of N-(4,4-dimethyl-2-phenylcyclohexyl)-3-(1,3-thiazol-4-yl)propanamide?
The InChIKey is MQHAAWUKPKKHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2OS/c1-20(2)11-10-18(17(12-20)15-6-4-3-5-7-15)22-19(23)9-8-16-13-24-14-21-16/h3-7,13-14,17-18H,8-12H2,1-2H3,(H,22,23).
What are the key properties of N-(4,4-dimethyl-2-phenylcyclohexyl)-3-(1,3-thiazol-4-yl)propanamide?
N-(4,4-dimethyl-2-phenylcyclohexyl)-3-(1,3-thiazol-4-yl)propanamide has a molecular weight of 342.51 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethyl-2-phenylcyclohexyl)-3-(1,3-thiazol-4-yl)propanamide is sourced from PubChem (CID 155961919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).