2-[[2-(4-aminophenyl)acetyl]amino]-3,3-dimethylbutanamide

C14H21N3O2 — CID 119778141

IUPAC2-[[2-(4-aminophenyl)acetyl]amino]-3,3-dimethylbutanamide
SMILESCC(C)(C)C(NC(=O)Cc1ccc(N)cc1)C(N)=O
InChIInChI=1S/C14H21N3O2/c1-14(2,3)12(13(16)19)17-11(18)8-9-4-6-10(15)7-5-9/h4-7,12H,8,15H2,1-3H3,(H2,16,19)(H,17,18)
InChIKeyYOFJQIWDWRERPS-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.83
Rot. Bonds4

About 2-[[2-(4-aminophenyl)acetyl]amino]-3,3-dimethylbutanamide

2-[[2-(4-aminophenyl)acetyl]amino]-3,3-dimethylbutanamide (PubChem CID 119778141) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[[2-(4-aminophenyl)acetyl]amino]-3,3-dimethylbutanamide.

Molecular Properties

Compound Name2-[[2-(4-aminophenyl)acetyl]amino]-3,3-dimethylbutanamide
PubChem CID119778141
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-[[2-(4-aminophenyl)acetyl]amino]-3,3-dimethylbutanamide
SMILESCC(C)(C)C(NC(=O)Cc1ccc(N)cc1)C(N)=O
InChIInChI=1S/C14H21N3O2/c1-14(2,3)12(13(16)19)17-11(18)8-9-4-6-10(15)7-5-9/h4-7,12H,8,15H2,1-3H3,(H2,16,19)(H,17,18)
InChIKeyYOFJQIWDWRERPS-UHFFFAOYSA-N
XLogP0.83
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-aminophenyl)-N-(5,5-dimethylhexan-2-yl)acetamide
CID 119796536
2-(4-aminophenyl)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
CID 79248650
2-[[2-(4-aminophenyl)acetyl]amino]-N-tert-butylpropanamide
CID 115597377
(2R)-2-[[2-(4-fluorophenyl)acetyl]amino]-3,3-dimethylbutanoic acid
CID 103926387
methyl 2-[[2-(4-aminophenyl)acetyl]amino]-3-methylbutanoate
CID 43452000
2-[[2-(4-fluorophenyl)acetyl]amino]-3,3-dimethylbutanoic acid
CID 43467961
3-[[2-(4-aminophenyl)acetyl]amino]-2,2-dimethylpropanamide
CID 103809503
sodium (2S)-2-[[2-(4-aminophenyl)acetyl]amino]-3-methylbutanoate
CID 126797103
2-[[2-(3-aminophenyl)acetyl]amino]-3,3-dimethylbutanoic acid
CID 65350441
2-(4-aminophenyl)-N-(3-methylpentan-2-yl)acetamide
CID 54950191
2-(4-aminophenyl)-N-but-3-en-2-ylacetamide
CID 115739603
N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-4-(aminomethyl)benzamide;hydrochloride
CID 119320424

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-aminophenyl)acetyl]amino]-3,3-dimethylbutanamide?
The IUPAC name of 2-[[2-(4-aminophenyl)acetyl]amino]-3,3-dimethylbutanamide (CID 119778141) is 2-[[2-(4-aminophenyl)acetyl]amino]-3,3-dimethylbutanamide.
What is the SMILES notation for 2-[[2-(4-aminophenyl)acetyl]amino]-3,3-dimethylbutanamide?
The canonical SMILES for 2-[[2-(4-aminophenyl)acetyl]amino]-3,3-dimethylbutanamide is CC(C)(C)C(NC(=O)Cc1ccc(N)cc1)C(N)=O.
What is the InChIKey of 2-[[2-(4-aminophenyl)acetyl]amino]-3,3-dimethylbutanamide?
The InChIKey is YOFJQIWDWRERPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-14(2,3)12(13(16)19)17-11(18)8-9-4-6-10(15)7-5-9/h4-7,12H,8,15H2,1-3H3,(H2,16,19)(H,17,18).
What are the key properties of 2-[[2-(4-aminophenyl)acetyl]amino]-3,3-dimethylbutanamide?
2-[[2-(4-aminophenyl)acetyl]amino]-3,3-dimethylbutanamide has a molecular weight of 263.34 g/mol, XLogP of 0.83, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-aminophenyl)acetyl]amino]-3,3-dimethylbutanamide is sourced from PubChem (CID 119778141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).