2-(4-chlorophenyl)-N-(4-hydroxy-3-methylbutan-2-yl)-3-methylbutanamide

C16H24ClNO2 — CID 115770820

IUPAC2-(4-chlorophenyl)-N-(4-hydroxy-3-methylbutan-2-yl)-3-methylbutanamide
SMILESCC(C)C(C(=O)NC(C)C(C)CO)c1ccc(Cl)cc1
InChIInChI=1S/C16H24ClNO2/c1-10(2)15(13-5-7-14(17)8-6-13)16(20)18-12(4)11(3)9-19/h5-8,10-12,15,19H,9H2,1-4H3,(H,18,20)
InChIKeyLAPRHYPHKRPGAL-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.21
Rot. Bonds6

About 2-(4-chlorophenyl)-N-(4-hydroxy-3-methylbutan-2-yl)-3-methylbutanamide

2-(4-chlorophenyl)-N-(4-hydroxy-3-methylbutan-2-yl)-3-methylbutanamide (PubChem CID 115770820) has the molecular formula C16H24ClNO2 and a molecular weight of 297.83 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(4-hydroxy-3-methylbutan-2-yl)-3-methylbutanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(4-hydroxy-3-methylbutan-2-yl)-3-methylbutanamide
PubChem CID115770820
Molecular FormulaC16H24ClNO2
Molecular Weight297.83 g/mol
Exact Mass297.15
IUPAC Name2-(4-chlorophenyl)-N-(4-hydroxy-3-methylbutan-2-yl)-3-methylbutanamide
SMILESCC(C)C(C(=O)NC(C)C(C)CO)c1ccc(Cl)cc1
InChIInChI=1S/C16H24ClNO2/c1-10(2)15(13-5-7-14(17)8-6-13)16(20)18-12(4)11(3)9-19/h5-8,10-12,15,19H,9H2,1-4H3,(H,18,20)
InChIKeyLAPRHYPHKRPGAL-UHFFFAOYSA-N
XLogP3.21
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-N-[(2R)-1-hydroxypropan-2-yl]-3-methylbutanamide
CID 79030912
(2R)-2-(4-chlorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]butanamide
CID 7945468
(2S)-2-(4-chlorophenyl)-3-methyl-N-[2-(2-methylpropanoylamino)ethyl]butanamide
CID 30764658
2-[[2-(4-chlorophenyl)-3-methylbutanoyl]amino]-3-hydroxybutanoic acid
CID 43238753
2-(4-chlorophenyl)-3-methyl-N-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]butanamide
CID 24740321
2-(4-chlorophenyl)-N,N-bis(2-hydroxyethyl)-3-methylbutanamide
CID 60653667
N'-[(2R)-2-(4-chlorophenyl)-3-methylbutanoyl]benzohydrazide
CID 7601517
2-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxyethyl)-3-methylbutanamide
CID 63294733
2-[[2-(4-chlorophenyl)-3-methylbutanoyl]amino]-2-methylpropanoic acid
CID 61261712
2-(4-chlorophenyl)-N-cyclopentyl-3-methylbutanamide
CID 60631278
N'-[(2R)-2-(4-chlorophenyl)-3-methylbutanoyl]-4-ethylbenzohydrazide
CID 7601369
(2S)-4-[[2-(4-chlorophenyl)-3-methylbutanoyl]amino]-2-hydroxybutanoic acid
CID 107834611

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(4-hydroxy-3-methylbutan-2-yl)-3-methylbutanamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(4-hydroxy-3-methylbutan-2-yl)-3-methylbutanamide (CID 115770820) is 2-(4-chlorophenyl)-N-(4-hydroxy-3-methylbutan-2-yl)-3-methylbutanamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(4-hydroxy-3-methylbutan-2-yl)-3-methylbutanamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(4-hydroxy-3-methylbutan-2-yl)-3-methylbutanamide is CC(C)C(C(=O)NC(C)C(C)CO)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(4-hydroxy-3-methylbutan-2-yl)-3-methylbutanamide?
The InChIKey is LAPRHYPHKRPGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO2/c1-10(2)15(13-5-7-14(17)8-6-13)16(20)18-12(4)11(3)9-19/h5-8,10-12,15,19H,9H2,1-4H3,(H,18,20).
What are the key properties of 2-(4-chlorophenyl)-N-(4-hydroxy-3-methylbutan-2-yl)-3-methylbutanamide?
2-(4-chlorophenyl)-N-(4-hydroxy-3-methylbutan-2-yl)-3-methylbutanamide has a molecular weight of 297.83 g/mol, XLogP of 3.21, 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-(4-hydroxy-3-methylbutan-2-yl)-3-methylbutanamide is sourced from PubChem (CID 115770820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).