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

C16H22ClNO2 — CID 63294733

IUPAC2-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxyethyl)-3-methylbutanamide
SMILESCC(C)C(C(=O)NCC(O)C1CC1)c1ccc(Cl)cc1
InChIInChI=1S/C16H22ClNO2/c1-10(2)15(12-5-7-13(17)8-6-12)16(20)18-9-14(19)11-3-4-11/h5-8,10-11,14-15,19H,3-4,9H2,1-2H3,(H,18,20)
InChIKeySCPHWGCSXPAIHW-UHFFFAOYSA-N
MW295.81 g/mol
LogP2.97
Rot. Bonds6

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

2-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxyethyl)-3-methylbutanamide (PubChem CID 63294733) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxyethyl)-3-methylbutanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxyethyl)-3-methylbutanamide
PubChem CID63294733
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC Name2-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxyethyl)-3-methylbutanamide
SMILESCC(C)C(C(=O)NCC(O)C1CC1)c1ccc(Cl)cc1
InChIInChI=1S/C16H22ClNO2/c1-10(2)15(12-5-7-13(17)8-6-12)16(20)18-9-14(19)11-3-4-11/h5-8,10-11,14-15,19H,3-4,9H2,1-2H3,(H,18,20)
InChIKeySCPHWGCSXPAIHW-UHFFFAOYSA-N
XLogP2.97
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(4-chlorophenyl)-3-methyl-N-[2-(2-methylpropanoylamino)ethyl]butanamide
CID 30764658
4-chloro-N-(2-cyclopropyl-2-hydroxyethyl)benzamide
CID 63294334
3-[[2-(4-chlorophenyl)-3-methylbutanoyl]amino]-2-methoxypropanoic acid
CID 106107784
2-(4-chlorophenyl)-N-cyclopentyl-3-methylbutanamide
CID 60631278
(2S)-4-[[2-(4-chlorophenyl)-3-methylbutanoyl]amino]-2-hydroxybutanoic acid
CID 107834611
1-(4-chlorophenyl)-3-(2-cyclopropyl-2-hydroxyethyl)urea
CID 63237292
2-(4-chlorophenyl)-N-[(2R)-1-hydroxypropan-2-yl]-3-methylbutanamide
CID 79030912
2-(4-chlorophenyl)-N-(4-hydroxycyclohexyl)-3-methylbutanamide
CID 43388740
1-[[[2-(4-chlorophenyl)-3-methylbutanoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115449634
2-(4-chlorophenyl)-N-(4-hydroxy-3-methylbutan-2-yl)-3-methylbutanamide
CID 115770820
2-(4-chlorophenyl)-N-[(2,4-dichlorophenyl)methyl]-3-methylbutanamide
CID 4264169
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(dimethylamino)-3-methylbutanamide
CID 111107154

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxyethyl)-3-methylbutanamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxyethyl)-3-methylbutanamide (CID 63294733) is 2-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxyethyl)-3-methylbutanamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxyethyl)-3-methylbutanamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxyethyl)-3-methylbutanamide is CC(C)C(C(=O)NCC(O)C1CC1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxyethyl)-3-methylbutanamide?
The InChIKey is SCPHWGCSXPAIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO2/c1-10(2)15(12-5-7-13(17)8-6-12)16(20)18-9-14(19)11-3-4-11/h5-8,10-11,14-15,19H,3-4,9H2,1-2H3,(H,18,20).
What are the key properties of 2-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxyethyl)-3-methylbutanamide?
2-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxyethyl)-3-methylbutanamide has a molecular weight of 295.81 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxyethyl)-3-methylbutanamide is sourced from PubChem (CID 63294733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).