2-(4-chlorophenyl)-N-cyclopropyl-N-(2-hydroxyethyl)-3-methylbutanamide

C16H22ClNO2 — CID 43576559

IUPAC2-(4-chlorophenyl)-N-cyclopropyl-N-(2-hydroxyethyl)-3-methylbutanamide
SMILESCC(C)C(C(=O)N(CCO)C1CC1)c1ccc(Cl)cc1
InChIInChI=1S/C16H22ClNO2/c1-11(2)15(12-3-5-13(17)6-4-12)16(20)18(9-10-19)14-7-8-14/h3-6,11,14-15,19H,7-10H2,1-2H3
InChIKeyXCYKTILSTKHCGH-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.06
Rot. Bonds6

About 2-(4-chlorophenyl)-N-cyclopropyl-N-(2-hydroxyethyl)-3-methylbutanamide

2-(4-chlorophenyl)-N-cyclopropyl-N-(2-hydroxyethyl)-3-methylbutanamide (PubChem CID 43576559) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-cyclopropyl-N-(2-hydroxyethyl)-3-methylbutanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-cyclopropyl-N-(2-hydroxyethyl)-3-methylbutanamide
PubChem CID43576559
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC Name2-(4-chlorophenyl)-N-cyclopropyl-N-(2-hydroxyethyl)-3-methylbutanamide
SMILESCC(C)C(C(=O)N(CCO)C1CC1)c1ccc(Cl)cc1
InChIInChI=1S/C16H22ClNO2/c1-11(2)15(12-3-5-13(17)6-4-12)16(20)18(9-10-19)14-7-8-14/h3-6,11,14-15,19H,7-10H2,1-2H3
InChIKeyXCYKTILSTKHCGH-UHFFFAOYSA-N
XLogP3.06
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-N,N-bis(2-hydroxyethyl)-3-methylbutanamide
CID 60653667
2-chloro-N-cyclopropyl-N-(2-hydroxyethyl)-2-phenylacetamide
CID 43578971
2-(4-chlorophenyl)-N,N,3-trimethylbutanamide
CID 60653268
3-(4-chlorophenyl)sulfanyl-N-cyclopropyl-N-(2-hydroxyethyl)propanamide
CID 43577284
N-cyclobutyl-N-(2-hydroxyethyl)-3-methyl-2-phenylpentanamide
CID 102867408
2-(4-chloro-2-methylphenoxy)-N-cyclopropyl-N-(2-hydroxyethyl)propanamide
CID 43576645
2-(4-chlorophenyl)-N-cyclopropyl-N-(2-hydroxyethyl)acetamide
CID 43576750
N-cyclobutyl-2-(2,4-dichlorophenoxy)-N-(2-hydroxyethyl)propanamide
CID 102684163
2-chloro-N-cyclohexyl-N-(2-hydroxyethyl)propanamide
CID 60949797
2-[[2-(4-chlorophenyl)-3-methylbutanoyl]-methylamino]propanoic acid
CID 62627629
4-chloro-N-[4-[4-[1-[2-hydroxyethyl(methyl)amino]ethyl]phenyl]cyclohexyl]-N-methylbenzamide
CID 57138521
2-(4-chlorophenyl)-N-cyclopentyl-3-methylbutanamide
CID 60631278

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-cyclopropyl-N-(2-hydroxyethyl)-3-methylbutanamide?
The IUPAC name of 2-(4-chlorophenyl)-N-cyclopropyl-N-(2-hydroxyethyl)-3-methylbutanamide (CID 43576559) is 2-(4-chlorophenyl)-N-cyclopropyl-N-(2-hydroxyethyl)-3-methylbutanamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-cyclopropyl-N-(2-hydroxyethyl)-3-methylbutanamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-cyclopropyl-N-(2-hydroxyethyl)-3-methylbutanamide is CC(C)C(C(=O)N(CCO)C1CC1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-cyclopropyl-N-(2-hydroxyethyl)-3-methylbutanamide?
The InChIKey is XCYKTILSTKHCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO2/c1-11(2)15(12-3-5-13(17)6-4-12)16(20)18(9-10-19)14-7-8-14/h3-6,11,14-15,19H,7-10H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-N-cyclopropyl-N-(2-hydroxyethyl)-3-methylbutanamide?
2-(4-chlorophenyl)-N-cyclopropyl-N-(2-hydroxyethyl)-3-methylbutanamide has a molecular weight of 295.81 g/mol, XLogP of 3.06, 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-cyclopropyl-N-(2-hydroxyethyl)-3-methylbutanamide is sourced from PubChem (CID 43576559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).