2-[[2-(4-aminophenyl)acetyl]amino]-N-tert-butylpropanamide

C15H23N3O2 — CID 115597377

IUPAC2-[[2-(4-aminophenyl)acetyl]amino]-N-tert-butylpropanamide
SMILESCC(NC(=O)Cc1ccc(N)cc1)C(=O)NC(C)(C)C
InChIInChI=1S/C15H23N3O2/c1-10(14(20)18-15(2,3)4)17-13(19)9-11-5-7-12(16)8-6-11/h5-8,10H,9,16H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyNEMCIOVVRCRQRH-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.23
Rot. Bonds4

About 2-[[2-(4-aminophenyl)acetyl]amino]-N-tert-butylpropanamide

2-[[2-(4-aminophenyl)acetyl]amino]-N-tert-butylpropanamide (PubChem CID 115597377) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-[[2-(4-aminophenyl)acetyl]amino]-N-tert-butylpropanamide.

Molecular Properties

Compound Name2-[[2-(4-aminophenyl)acetyl]amino]-N-tert-butylpropanamide
PubChem CID115597377
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-[[2-(4-aminophenyl)acetyl]amino]-N-tert-butylpropanamide
SMILESCC(NC(=O)Cc1ccc(N)cc1)C(=O)NC(C)(C)C
InChIInChI=1S/C15H23N3O2/c1-10(14(20)18-15(2,3)4)17-13(19)9-11-5-7-12(16)8-6-11/h5-8,10H,9,16H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyNEMCIOVVRCRQRH-UHFFFAOYSA-N
XLogP1.23
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.23
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'}

Analyze 2-[[2-(4-aminophenyl)acetyl]amino]-N-tert-butylpropanamide 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

2-(4-aminophenyl)-N-(5,5-dimethylhexan-2-yl)acetamide
CID 119796536
2-[3-(2-aminophenyl)propanoylamino]-N-tert-butylpropanamide;hydrochloride
CID 120609736
2-[[2-(4-aminophenyl)acetyl]amino]-3,3-dimethylbutanamide
CID 119778141
2-(4-aminophenyl)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 60927303
2-(4-aminophenyl)-N-(3-methylpentan-2-yl)acetamide
CID 54950191
2-(4-aminophenyl)-N-but-3-en-2-ylacetamide
CID 115739603
2-(4-aminophenyl)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
CID 79248650
N-tert-butyl-2-[(2-chloroacetyl)amino]propanamide
CID 115879856
N-[1-(4-aminophenyl)ethyl]-2-(4-chlorophenyl)acetamide
CID 43297476
2-[(2-anilinoacetyl)amino]-N-tert-butylpropanamide;hydrochloride
CID 119748180
2-[4-[[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]methyl]phenyl]acetic acid
CID 103262777
3-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-phenylpropanamide
CID 115748700

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-aminophenyl)acetyl]amino]-N-tert-butylpropanamide?
The IUPAC name of 2-[[2-(4-aminophenyl)acetyl]amino]-N-tert-butylpropanamide (CID 115597377) is 2-[[2-(4-aminophenyl)acetyl]amino]-N-tert-butylpropanamide.
What is the SMILES notation for 2-[[2-(4-aminophenyl)acetyl]amino]-N-tert-butylpropanamide?
The canonical SMILES for 2-[[2-(4-aminophenyl)acetyl]amino]-N-tert-butylpropanamide is CC(NC(=O)Cc1ccc(N)cc1)C(=O)NC(C)(C)C.
What is the InChIKey of 2-[[2-(4-aminophenyl)acetyl]amino]-N-tert-butylpropanamide?
The InChIKey is NEMCIOVVRCRQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-10(14(20)18-15(2,3)4)17-13(19)9-11-5-7-12(16)8-6-11/h5-8,10H,9,16H2,1-4H3,(H,17,19)(H,18,20).
What are the key properties of 2-[[2-(4-aminophenyl)acetyl]amino]-N-tert-butylpropanamide?
2-[[2-(4-aminophenyl)acetyl]amino]-N-tert-butylpropanamide has a molecular weight of 277.37 g/mol, XLogP of 1.23, 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]-N-tert-butylpropanamide is sourced from PubChem (CID 115597377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).