2-(3-aminophenyl)-N-(4-hydroxy-3-methylbutan-2-yl)acetamide

C13H20N2O2 — CID 113484647

IUPAC2-(3-aminophenyl)-N-(4-hydroxy-3-methylbutan-2-yl)acetamide
SMILESCC(CO)C(C)NC(=O)Cc1cccc(N)c1
InChIInChI=1S/C13H20N2O2/c1-9(8-16)10(2)15-13(17)7-11-4-3-5-12(14)6-11/h3-6,9-10,16H,7-8,14H2,1-2H3,(H,15,17)
InChIKeyPCRAXTKSDYDHDZ-UHFFFAOYSA-N
MW236.31 g/mol
LogP0.94
Rot. Bonds5

About 2-(3-aminophenyl)-N-(4-hydroxy-3-methylbutan-2-yl)acetamide

2-(3-aminophenyl)-N-(4-hydroxy-3-methylbutan-2-yl)acetamide (PubChem CID 113484647) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-(4-hydroxy-3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-(4-hydroxy-3-methylbutan-2-yl)acetamide
PubChem CID113484647
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-(3-aminophenyl)-N-(4-hydroxy-3-methylbutan-2-yl)acetamide
SMILESCC(CO)C(C)NC(=O)Cc1cccc(N)c1
InChIInChI=1S/C13H20N2O2/c1-9(8-16)10(2)15-13(17)7-11-4-3-5-12(14)6-11/h3-6,9-10,16H,7-8,14H2,1-2H3,(H,15,17)
InChIKeyPCRAXTKSDYDHDZ-UHFFFAOYSA-N
XLogP0.94
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(3-aminophenyl)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 94459377
2-[[2-(3-aminophenyl)acetyl]amino]-3-methylbutanamide
CID 106343741
3-(3-aminophenyl)-N-(3-methylpentan-2-yl)propanamide
CID 54955617
methyl 2-[[2-(3-aminophenyl)acetyl]amino]-3-methylbutanoate
CID 55083996
2-(3-aminophenyl)-N-[(1R)-1-(2-methylphenyl)ethyl]acetamide
CID 81380692
3-(3-aminophenyl)-N-[(2R)-1-hydroxypropan-2-yl]propanamide
CID 107210300
2-[[2-(3-aminophenyl)acetyl]amino]-3,3-dimethylbutanoic acid
CID 65350441
2-(3-aminophenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 62499193
2-(3-aminophenyl)-N-[1-(2-chlorophenyl)ethyl]acetamide
CID 62499997
2-(3-aminophenyl)-N-(dicyclopropylmethyl)acetamide
CID 55083999
3-[[2-(3-aminophenyl)acetyl]amino]-2-methylpropanoic acid
CID 65349881
2-(2,3-difluorophenyl)-N-[(2R,3R)-4-hydroxy-3-methylbutan-2-yl]acetamide
CID 97245023

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N-(4-hydroxy-3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(3-aminophenyl)-N-(4-hydroxy-3-methylbutan-2-yl)acetamide (CID 113484647) is 2-(3-aminophenyl)-N-(4-hydroxy-3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(3-aminophenyl)-N-(4-hydroxy-3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(3-aminophenyl)-N-(4-hydroxy-3-methylbutan-2-yl)acetamide is CC(CO)C(C)NC(=O)Cc1cccc(N)c1.
What is the InChIKey of 2-(3-aminophenyl)-N-(4-hydroxy-3-methylbutan-2-yl)acetamide?
The InChIKey is PCRAXTKSDYDHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9(8-16)10(2)15-13(17)7-11-4-3-5-12(14)6-11/h3-6,9-10,16H,7-8,14H2,1-2H3,(H,15,17).
What are the key properties of 2-(3-aminophenyl)-N-(4-hydroxy-3-methylbutan-2-yl)acetamide?
2-(3-aminophenyl)-N-(4-hydroxy-3-methylbutan-2-yl)acetamide has a molecular weight of 236.31 g/mol, XLogP of 0.94, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-N-(4-hydroxy-3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 113484647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).