2-(hydroxymethyl)-3-methyl-N-(2-methyl-5-propan-2-ylphenyl)butanamide

C16H25NO2 — CID 115187173

IUPAC2-(hydroxymethyl)-3-methyl-N-(2-methyl-5-propan-2-ylphenyl)butanamide
SMILESCc1ccc(C(C)C)cc1NC(=O)C(CO)C(C)C
InChIInChI=1S/C16H25NO2/c1-10(2)13-7-6-12(5)15(8-13)17-16(19)14(9-18)11(3)4/h6-8,10-11,14,18H,9H2,1-5H3,(H,17,19)
InChIKeyTYOXVRVBSMNTJB-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.32
Rot. Bonds5

About 2-(hydroxymethyl)-3-methyl-N-(2-methyl-5-propan-2-ylphenyl)butanamide

2-(hydroxymethyl)-3-methyl-N-(2-methyl-5-propan-2-ylphenyl)butanamide (PubChem CID 115187173) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-(hydroxymethyl)-3-methyl-N-(2-methyl-5-propan-2-ylphenyl)butanamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-3-methyl-N-(2-methyl-5-propan-2-ylphenyl)butanamide
PubChem CID115187173
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-(hydroxymethyl)-3-methyl-N-(2-methyl-5-propan-2-ylphenyl)butanamide
SMILESCc1ccc(C(C)C)cc1NC(=O)C(CO)C(C)C
InChIInChI=1S/C16H25NO2/c1-10(2)13-7-6-12(5)15(8-13)17-16(19)14(9-18)11(3)4/h6-8,10-11,14,18H,9H2,1-5H3,(H,17,19)
InChIKeyTYOXVRVBSMNTJB-UHFFFAOYSA-N
XLogP3.32
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(hydroxymethyl)-3-methyl-N-(2-methyl-5-propan-2-ylphenyl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methyl-5-propan-2-ylphenyl)-2-sulfanylacetamide
CID 21131547
methyl 2-(2-methyl-5-propan-2-ylanilino)-2-oxoacetate
CID 115142190
5-(2-methyl-5-propan-2-ylanilino)-5-oxopentanoic acid
CID 115163810
2-hydroxy-N-(2-methyl-5-propan-2-ylphenyl)benzamide
CID 172640282
N-(2-methyl-5-propan-2-ylphenyl)octanamide
CID 4069709
3-(2-methyl-5-propan-2-ylanilino)propanoic acid
CID 82494306
2-[(2-methyl-5-propan-2-ylanilino)methyl]butan-1-ol
CID 115250545
N,N-dimethyl-2-(2-methyl-5-propan-2-ylanilino)acetamide
CID 82496447
5-(2-methyl-5-propan-2-ylanilino)pentan-2-one
CID 115236245
2-methyl-4-(2-methyl-5-propan-2-ylanilino)butanoic acid
CID 115220542
N-(2,5-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 4681901
3-methyl-2-[(2-methyl-5-propan-2-ylphenyl)methyl]butanoic acid
CID 116930702

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-3-methyl-N-(2-methyl-5-propan-2-ylphenyl)butanamide?
The IUPAC name of 2-(hydroxymethyl)-3-methyl-N-(2-methyl-5-propan-2-ylphenyl)butanamide (CID 115187173) is 2-(hydroxymethyl)-3-methyl-N-(2-methyl-5-propan-2-ylphenyl)butanamide.
What is the SMILES notation for 2-(hydroxymethyl)-3-methyl-N-(2-methyl-5-propan-2-ylphenyl)butanamide?
The canonical SMILES for 2-(hydroxymethyl)-3-methyl-N-(2-methyl-5-propan-2-ylphenyl)butanamide is Cc1ccc(C(C)C)cc1NC(=O)C(CO)C(C)C.
What is the InChIKey of 2-(hydroxymethyl)-3-methyl-N-(2-methyl-5-propan-2-ylphenyl)butanamide?
The InChIKey is TYOXVRVBSMNTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-10(2)13-7-6-12(5)15(8-13)17-16(19)14(9-18)11(3)4/h6-8,10-11,14,18H,9H2,1-5H3,(H,17,19).
What are the key properties of 2-(hydroxymethyl)-3-methyl-N-(2-methyl-5-propan-2-ylphenyl)butanamide?
2-(hydroxymethyl)-3-methyl-N-(2-methyl-5-propan-2-ylphenyl)butanamide has a molecular weight of 263.38 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-3-methyl-N-(2-methyl-5-propan-2-ylphenyl)butanamide is sourced from PubChem (CID 115187173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).