2-[(4-tert-butylphenyl)methylamino]-N-propan-2-ylpropanamide

C17H28N2O — CID 115750730

IUPAC2-[(4-tert-butylphenyl)methylamino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)NCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H28N2O/c1-12(2)19-16(20)13(3)18-11-14-7-9-15(10-8-14)17(4,5)6/h7-10,12-13,18H,11H2,1-6H3,(H,19,20)
InChIKeyRTUIFRUOPFZDBG-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.99
Rot. Bonds5

About 2-[(4-tert-butylphenyl)methylamino]-N-propan-2-ylpropanamide

2-[(4-tert-butylphenyl)methylamino]-N-propan-2-ylpropanamide (PubChem CID 115750730) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-[(4-tert-butylphenyl)methylamino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-[(4-tert-butylphenyl)methylamino]-N-propan-2-ylpropanamide
PubChem CID115750730
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-[(4-tert-butylphenyl)methylamino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)NCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H28N2O/c1-12(2)19-16(20)13(3)18-11-14-7-9-15(10-8-14)17(4,5)6/h7-10,12-13,18H,11H2,1-6H3,(H,19,20)
InChIKeyRTUIFRUOPFZDBG-UHFFFAOYSA-N
XLogP2.99
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[(4-tert-butylphenyl)methylamino]-N-propan-2-ylpropanamide 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-tert-butylphenyl)methylamino]propanoic acid
CID 43467143
2-[(4-fluorophenyl)methylamino]-N-propan-2-ylpropanamide
CID 43084839
N-propan-2-yl-2-[[4-(trifluoromethoxy)phenyl]methylamino]propanamide
CID 115576057
2-(benzylamino)-1-(4-tert-butylphenyl)propan-1-one
CID 82100631
N-tert-butyl-2-[(4-methylphenyl)methylamino]propanamide
CID 43087569
2-[(3-fluoro-4-methylphenyl)methylamino]-N-propan-2-ylpropanamide
CID 112683661
2-[(3-fluoro-4-hydroxyphenyl)methylamino]-N-propan-2-ylpropanamide
CID 107685981
(2S)-2-[(4-tert-butylphenyl)methylamino]-3-methylbutan-1-ol
CID 79253395
2-[(3,5-dichlorophenyl)methylamino]-N-propan-2-ylpropanamide
CID 113406685
methyl (2S)-2-[(4-tert-butylphenyl)methylamino]-3-methylbutanoate
CID 43386442
2-[(4-chloro-3-fluorophenyl)methylamino]-N-propan-2-ylpropanamide
CID 113406683
tert-butyl (2S)-2-[[(2S)-2-(benzylamino)propanoyl]amino]propanoate
CID 175893228

Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butylphenyl)methylamino]-N-propan-2-ylpropanamide?
The IUPAC name of 2-[(4-tert-butylphenyl)methylamino]-N-propan-2-ylpropanamide (CID 115750730) is 2-[(4-tert-butylphenyl)methylamino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-[(4-tert-butylphenyl)methylamino]-N-propan-2-ylpropanamide?
The canonical SMILES for 2-[(4-tert-butylphenyl)methylamino]-N-propan-2-ylpropanamide is CC(C)NC(=O)C(C)NCc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-[(4-tert-butylphenyl)methylamino]-N-propan-2-ylpropanamide?
The InChIKey is RTUIFRUOPFZDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-12(2)19-16(20)13(3)18-11-14-7-9-15(10-8-14)17(4,5)6/h7-10,12-13,18H,11H2,1-6H3,(H,19,20).
What are the key properties of 2-[(4-tert-butylphenyl)methylamino]-N-propan-2-ylpropanamide?
2-[(4-tert-butylphenyl)methylamino]-N-propan-2-ylpropanamide has a molecular weight of 276.42 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butylphenyl)methylamino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 115750730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).