2-[(4-aminophenyl)methyl-methylamino]-N-(2-methylpropyl)propanamide

C15H25N3O — CID 43458328

IUPAC2-[(4-aminophenyl)methyl-methylamino]-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)N(C)Cc1ccc(N)cc1
InChIInChI=1S/C15H25N3O/c1-11(2)9-17-15(19)12(3)18(4)10-13-5-7-14(16)8-6-13/h5-8,11-12H,9-10,16H2,1-4H3,(H,17,19)
InChIKeyRSKZVMGYDWHSCR-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.86
Rot. Bonds6

About 2-[(4-aminophenyl)methyl-methylamino]-N-(2-methylpropyl)propanamide

2-[(4-aminophenyl)methyl-methylamino]-N-(2-methylpropyl)propanamide (PubChem CID 43458328) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[(4-aminophenyl)methyl-methylamino]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-[(4-aminophenyl)methyl-methylamino]-N-(2-methylpropyl)propanamide
PubChem CID43458328
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-[(4-aminophenyl)methyl-methylamino]-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)N(C)Cc1ccc(N)cc1
InChIInChI=1S/C15H25N3O/c1-11(2)9-17-15(19)12(3)18(4)10-13-5-7-14(16)8-6-13/h5-8,11-12H,9-10,16H2,1-4H3,(H,17,19)
InChIKeyRSKZVMGYDWHSCR-UHFFFAOYSA-N
XLogP1.86
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.86
H-Bond Donors ≤ 52
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)methyl-methylamino]-N-ethylpropanamide
CID 43458316
2-[(4-aminophenyl)methyl-methylamino]-N-propylpropanamide
CID 43383798
4-[[methyl-[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]methyl]benzoic acid
CID 60978207
2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(2-methylpropylcarbamoyl)propanamide
CID 18142135
2-[(4-aminophenyl)methyl-methylamino]-N,N-dimethylpropanamide
CID 43458331
2-[(4-aminophenyl)methyl-propan-2-ylamino]-N-ethylpropanamide
CID 43460140
2-(4-aminophenyl)-N-(2-methylpropyl)acetamide
CID 16776382
2-[(4-aminophenyl)methyl-propan-2-ylamino]-N-(2-methylpropyl)acetamide
CID 43460081
2-[(4-aminophenyl)methyl-ethylamino]-N-(2-methylpropyl)acetamide
CID 43458829
2-[(4-aminophenyl)methyl-ethylamino]-N-ethylpropanamide
CID 43383877
2-[(4-aminophenyl)methyl-ethylamino]-N-butylpropanamide
CID 43458901
2-[(4-bromophenyl)methyl-methylamino]-N-prop-2-ynylpropanamide
CID 47145310

Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminophenyl)methyl-methylamino]-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-[(4-aminophenyl)methyl-methylamino]-N-(2-methylpropyl)propanamide (CID 43458328) is 2-[(4-aminophenyl)methyl-methylamino]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-[(4-aminophenyl)methyl-methylamino]-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-[(4-aminophenyl)methyl-methylamino]-N-(2-methylpropyl)propanamide is CC(C)CNC(=O)C(C)N(C)Cc1ccc(N)cc1.
What is the InChIKey of 2-[(4-aminophenyl)methyl-methylamino]-N-(2-methylpropyl)propanamide?
The InChIKey is RSKZVMGYDWHSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-11(2)9-17-15(19)12(3)18(4)10-13-5-7-14(16)8-6-13/h5-8,11-12H,9-10,16H2,1-4H3,(H,17,19).
What are the key properties of 2-[(4-aminophenyl)methyl-methylamino]-N-(2-methylpropyl)propanamide?
2-[(4-aminophenyl)methyl-methylamino]-N-(2-methylpropyl)propanamide has a molecular weight of 263.38 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminophenyl)methyl-methylamino]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 43458328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).