N-[4-(dimethylamino)-4-(2-phenylethyl)cyclohexyl]-2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)acetamide

C28H35N3OS — CID 66651436

IUPACN-[4-(dimethylamino)-4-(2-phenylethyl)cyclohexyl]-2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)acetamide
SMILESCc1sc(-c2ccccc2)nc1CC(=O)NC1CCC(CCc2ccccc2)(N(C)C)CC1
InChIInChI=1S/C28H35N3OS/c1-21-25(30-27(33-21)23-12-8-5-9-13-23)20-26(32)29-24-15-18-28(19-16-24,31(2)3)17-14-22-10-6-4-7-11-22/h4-13,24H,14-20H2,1-3H3,(H,29,32)
InChIKeyKCULURTUKKSRDO-UHFFFAOYSA-N
MW461.68 g/mol
LogP5.65
Rot. Bonds8

About N-[4-(dimethylamino)-4-(2-phenylethyl)cyclohexyl]-2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)acetamide

N-[4-(dimethylamino)-4-(2-phenylethyl)cyclohexyl]-2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)acetamide (PubChem CID 66651436) has the molecular formula C28H35N3OS and a molecular weight of 461.68 g/mol. Its IUPAC name is N-[4-(dimethylamino)-4-(2-phenylethyl)cyclohexyl]-2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)-4-(2-phenylethyl)cyclohexyl]-2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)acetamide
PubChem CID66651436
Molecular FormulaC28H35N3OS
Molecular Weight461.68 g/mol
Exact Mass461.25
IUPAC NameN-[4-(dimethylamino)-4-(2-phenylethyl)cyclohexyl]-2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)acetamide
SMILESCc1sc(-c2ccccc2)nc1CC(=O)NC1CCC(CCc2ccccc2)(N(C)C)CC1
InChIInChI=1S/C28H35N3OS/c1-21-25(30-27(33-21)23-12-8-5-9-13-23)20-26(32)29-24-15-18-28(19-16-24,31(2)3)17-14-22-10-6-4-7-11-22/h4-13,24H,14-20H2,1-3H3,(H,29,32)
InChIKeyKCULURTUKKSRDO-UHFFFAOYSA-N
XLogP5.65
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.68
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)-4-(2-phenylethyl)cyclohexyl]-2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[4-(dimethylamino)-4-(2-phenylethyl)cyclohexyl]-2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)acetamide (CID 66651436) is N-[4-(dimethylamino)-4-(2-phenylethyl)cyclohexyl]-2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[4-(dimethylamino)-4-(2-phenylethyl)cyclohexyl]-2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[4-(dimethylamino)-4-(2-phenylethyl)cyclohexyl]-2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)acetamide is Cc1sc(-c2ccccc2)nc1CC(=O)NC1CCC(CCc2ccccc2)(N(C)C)CC1.
What is the InChIKey of N-[4-(dimethylamino)-4-(2-phenylethyl)cyclohexyl]-2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is KCULURTUKKSRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N3OS/c1-21-25(30-27(33-21)23-12-8-5-9-13-23)20-26(32)29-24-15-18-28(19-16-24,31(2)3)17-14-22-10-6-4-7-11-22/h4-13,24H,14-20H2,1-3H3,(H,29,32).
What are the key properties of N-[4-(dimethylamino)-4-(2-phenylethyl)cyclohexyl]-2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)acetamide?
N-[4-(dimethylamino)-4-(2-phenylethyl)cyclohexyl]-2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 461.68 g/mol, XLogP of 5.65, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)-4-(2-phenylethyl)cyclohexyl]-2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 66651436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).