2-(3-aminophenyl)-N-[(2R)-3-methylbutan-2-yl]acetamide

C13H20N2O — CID 94459377

IUPAC2-(3-aminophenyl)-N-[(2R)-3-methylbutan-2-yl]acetamide
SMILESCC(C)[C@@H](C)NC(=O)Cc1cccc(N)c1
InChIInChI=1S/C13H20N2O/c1-9(2)10(3)15-13(16)8-11-5-4-6-12(14)7-11/h4-7,9-10H,8,14H2,1-3H3,(H,15,16)/t10-/m1/s1
InChIKeyJDRBLKBZOMJQQD-SNVBAGLBSA-N
MW220.32 g/mol
LogP1.97
Rot. Bonds4

About 2-(3-aminophenyl)-N-[(2R)-3-methylbutan-2-yl]acetamide

2-(3-aminophenyl)-N-[(2R)-3-methylbutan-2-yl]acetamide (PubChem CID 94459377) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-[(2R)-3-methylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-[(2R)-3-methylbutan-2-yl]acetamide
PubChem CID94459377
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-(3-aminophenyl)-N-[(2R)-3-methylbutan-2-yl]acetamide
SMILESCC(C)[C@@H](C)NC(=O)Cc1cccc(N)c1
InChIInChI=1S/C13H20N2O/c1-9(2)10(3)15-13(16)8-11-5-4-6-12(14)7-11/h4-7,9-10H,8,14H2,1-3H3,(H,15,16)/t10-/m1/s1
InChIKeyJDRBLKBZOMJQQD-SNVBAGLBSA-N
XLogP1.97
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-aminophenyl)-N-(4-hydroxy-3-methylbutan-2-yl)acetamide
CID 113484647
2-[[2-(3-aminophenyl)acetyl]amino]-3-methylbutanamide
CID 106343741
methyl 2-[[2-(3-aminophenyl)acetyl]amino]-3-methylbutanoate
CID 55083996
2-(3-methoxyphenyl)-N-(3-methylbutan-2-yl)acetamide
CID 78799670
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-[(1R)-1-(2-methylphenyl)ethyl]acetamide
CID 81380692
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
3-(3-aminophenyl)-N-(3-methylpentan-2-yl)propanamide
CID 54955617
N-[1-(3-aminophenyl)ethyl]-2-(3-chlorophenyl)acetamide
CID 62504759

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N-[(2R)-3-methylbutan-2-yl]acetamide?
The IUPAC name of 2-(3-aminophenyl)-N-[(2R)-3-methylbutan-2-yl]acetamide (CID 94459377) is 2-(3-aminophenyl)-N-[(2R)-3-methylbutan-2-yl]acetamide.
What is the SMILES notation for 2-(3-aminophenyl)-N-[(2R)-3-methylbutan-2-yl]acetamide?
The canonical SMILES for 2-(3-aminophenyl)-N-[(2R)-3-methylbutan-2-yl]acetamide is CC(C)[C@@H](C)NC(=O)Cc1cccc(N)c1.
What is the InChIKey of 2-(3-aminophenyl)-N-[(2R)-3-methylbutan-2-yl]acetamide?
The InChIKey is JDRBLKBZOMJQQD-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H20N2O/c1-9(2)10(3)15-13(16)8-11-5-4-6-12(14)7-11/h4-7,9-10H,8,14H2,1-3H3,(H,15,16)/t10-/m1/s1.
What are the key properties of 2-(3-aminophenyl)-N-[(2R)-3-methylbutan-2-yl]acetamide?
2-(3-aminophenyl)-N-[(2R)-3-methylbutan-2-yl]acetamide has a molecular weight of 220.32 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-N-[(2R)-3-methylbutan-2-yl]acetamide is sourced from PubChem (CID 94459377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).