2-(4-chlorophenyl)-N-cyclohexyl-2-(diethylamino)acetamide

C18H27ClN2O — CID 3668552

IUPAC2-(4-chlorophenyl)-N-cyclohexyl-2-(diethylamino)acetamide
SMILESCCN(CC)C(C(=O)NC1CCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C18H27ClN2O/c1-3-21(4-2)17(14-10-12-15(19)13-11-14)18(22)20-16-8-6-5-7-9-16/h10-13,16-17H,3-9H2,1-2H3,(H,20,22)
InChIKeySOKDQSPHKNCHJJ-UHFFFAOYSA-N
MW322.88 g/mol
LogP4.17
Rot. Bonds6

About 2-(4-chlorophenyl)-N-cyclohexyl-2-(diethylamino)acetamide

2-(4-chlorophenyl)-N-cyclohexyl-2-(diethylamino)acetamide (PubChem CID 3668552) has the molecular formula C18H27ClN2O and a molecular weight of 322.88 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-cyclohexyl-2-(diethylamino)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-cyclohexyl-2-(diethylamino)acetamide
PubChem CID3668552
Molecular FormulaC18H27ClN2O
Molecular Weight322.88 g/mol
Exact Mass322.18
IUPAC Name2-(4-chlorophenyl)-N-cyclohexyl-2-(diethylamino)acetamide
SMILESCCN(CC)C(C(=O)NC1CCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C18H27ClN2O/c1-3-21(4-2)17(14-10-12-15(19)13-11-14)18(22)20-16-8-6-5-7-9-16/h10-13,16-17H,3-9H2,1-2H3,(H,20,22)
InChIKeySOKDQSPHKNCHJJ-UHFFFAOYSA-N
XLogP4.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.88
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-cyclohexyl-2-(diethylamino)acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-cyclohexyl-2-(diethylamino)acetamide (CID 3668552) is 2-(4-chlorophenyl)-N-cyclohexyl-2-(diethylamino)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-cyclohexyl-2-(diethylamino)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-cyclohexyl-2-(diethylamino)acetamide is CCN(CC)C(C(=O)NC1CCCCC1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-cyclohexyl-2-(diethylamino)acetamide?
The InChIKey is SOKDQSPHKNCHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2O/c1-3-21(4-2)17(14-10-12-15(19)13-11-14)18(22)20-16-8-6-5-7-9-16/h10-13,16-17H,3-9H2,1-2H3,(H,20,22).
What are the key properties of 2-(4-chlorophenyl)-N-cyclohexyl-2-(diethylamino)acetamide?
2-(4-chlorophenyl)-N-cyclohexyl-2-(diethylamino)acetamide has a molecular weight of 322.88 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-cyclohexyl-2-(diethylamino)acetamide is sourced from PubChem (CID 3668552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).