2-(3-cyanophenyl)-N-(3-hydroxy-2,2,4-trimethylpentyl)-2-methylpropanamide

C19H28N2O2 — CID 109381254

IUPAC2-(3-cyanophenyl)-N-(3-hydroxy-2,2,4-trimethylpentyl)-2-methylpropanamide
SMILESCC(C)C(O)C(C)(C)CNC(=O)C(C)(C)c1cccc(C#N)c1
InChIInChI=1S/C19H28N2O2/c1-13(2)16(22)18(3,4)12-21-17(23)19(5,6)15-9-7-8-14(10-15)11-20/h7-10,13,16,22H,12H2,1-6H3,(H,21,23)
InChIKeyNPKNQOQKFZRLHL-UHFFFAOYSA-N
MW316.44 g/mol
LogP3.00
Rot. Bonds6

About 2-(3-cyanophenyl)-N-(3-hydroxy-2,2,4-trimethylpentyl)-2-methylpropanamide

2-(3-cyanophenyl)-N-(3-hydroxy-2,2,4-trimethylpentyl)-2-methylpropanamide (PubChem CID 109381254) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is 2-(3-cyanophenyl)-N-(3-hydroxy-2,2,4-trimethylpentyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-(3-cyanophenyl)-N-(3-hydroxy-2,2,4-trimethylpentyl)-2-methylpropanamide
PubChem CID109381254
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name2-(3-cyanophenyl)-N-(3-hydroxy-2,2,4-trimethylpentyl)-2-methylpropanamide
SMILESCC(C)C(O)C(C)(C)CNC(=O)C(C)(C)c1cccc(C#N)c1
InChIInChI=1S/C19H28N2O2/c1-13(2)16(22)18(3,4)12-21-17(23)19(5,6)15-9-7-8-14(10-15)11-20/h7-10,13,16,22H,12H2,1-6H3,(H,21,23)
InChIKeyNPKNQOQKFZRLHL-UHFFFAOYSA-N
XLogP3.00
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S)-1-(3-cyanophenyl)ethyl]-3-[(3R)-3-hydroxy-2,2,4-trimethylpentyl]urea
CID 97326681
2-(3-cyanophenyl)-2-methylpropanoic acid
CID 22343997
1-[1-(4-cyanophenyl)ethyl]-3-(3-hydroxy-2,2,4-trimethylpentyl)urea
CID 109389003
3-cyano-N-(2,2-diphenylpropyl)benzamide
CID 16567575
N-(2-adamantyl)-2-(3-cyanophenyl)-2-methylpropanamide
CID 59658247
2-(3-cyanophenyl)-2-methylbutanoyl chloride
CID 117047850
2-(3-cyanophenoxy)-N-(2-hydroxy-2-phenylpropyl)propanamide
CID 111334999
3-cyano-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102906072
N-(2-amino-2-methylpropyl)-2-methyl-2-[3-(trifluoromethyl)phenyl]propanamide
CID 119628714
(E)-3-(3-cyanophenyl)-N-(3-hydroxy-2-methylbutan-2-yl)prop-2-enamide
CID 115884334
N-(3-hydroxy-2,2,4-trimethylpentyl)-N'-phenyloxamide
CID 109380534
1-(2-bromophenyl)-3-(3-hydroxy-2,2,4-trimethylpentyl)urea
CID 109388620

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyanophenyl)-N-(3-hydroxy-2,2,4-trimethylpentyl)-2-methylpropanamide?
The IUPAC name of 2-(3-cyanophenyl)-N-(3-hydroxy-2,2,4-trimethylpentyl)-2-methylpropanamide (CID 109381254) is 2-(3-cyanophenyl)-N-(3-hydroxy-2,2,4-trimethylpentyl)-2-methylpropanamide.
What is the SMILES notation for 2-(3-cyanophenyl)-N-(3-hydroxy-2,2,4-trimethylpentyl)-2-methylpropanamide?
The canonical SMILES for 2-(3-cyanophenyl)-N-(3-hydroxy-2,2,4-trimethylpentyl)-2-methylpropanamide is CC(C)C(O)C(C)(C)CNC(=O)C(C)(C)c1cccc(C#N)c1.
What is the InChIKey of 2-(3-cyanophenyl)-N-(3-hydroxy-2,2,4-trimethylpentyl)-2-methylpropanamide?
The InChIKey is NPKNQOQKFZRLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-13(2)16(22)18(3,4)12-21-17(23)19(5,6)15-9-7-8-14(10-15)11-20/h7-10,13,16,22H,12H2,1-6H3,(H,21,23).
What are the key properties of 2-(3-cyanophenyl)-N-(3-hydroxy-2,2,4-trimethylpentyl)-2-methylpropanamide?
2-(3-cyanophenyl)-N-(3-hydroxy-2,2,4-trimethylpentyl)-2-methylpropanamide has a molecular weight of 316.44 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyanophenyl)-N-(3-hydroxy-2,2,4-trimethylpentyl)-2-methylpropanamide is sourced from PubChem (CID 109381254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).