2-[(4-aminophenyl)methyl-(3-cyano-3-methylbutyl)amino]acetamide

C15H22N4O — CID 65253078

IUPAC2-[(4-aminophenyl)methyl-(3-cyano-3-methylbutyl)amino]acetamide
SMILESCC(C)(C#N)CCN(CC(N)=O)Cc1ccc(N)cc1
InChIInChI=1S/C15H22N4O/c1-15(2,11-16)7-8-19(10-14(18)20)9-12-3-5-13(17)6-4-12/h3-6H,7-10,17H2,1-2H3,(H2,18,20)
InChIKeyQNUKOGVQURVGNA-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.50
Rot. Bonds7

About 2-[(4-aminophenyl)methyl-(3-cyano-3-methylbutyl)amino]acetamide

2-[(4-aminophenyl)methyl-(3-cyano-3-methylbutyl)amino]acetamide (PubChem CID 65253078) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-[(4-aminophenyl)methyl-(3-cyano-3-methylbutyl)amino]acetamide.

Molecular Properties

Compound Name2-[(4-aminophenyl)methyl-(3-cyano-3-methylbutyl)amino]acetamide
PubChem CID65253078
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name2-[(4-aminophenyl)methyl-(3-cyano-3-methylbutyl)amino]acetamide
SMILESCC(C)(C#N)CCN(CC(N)=O)Cc1ccc(N)cc1
InChIInChI=1S/C15H22N4O/c1-15(2,11-16)7-8-19(10-14(18)20)9-12-3-5-13(17)6-4-12/h3-6H,7-10,17H2,1-2H3,(H2,18,20)
InChIKeyQNUKOGVQURVGNA-UHFFFAOYSA-N
XLogP1.50
TPSA96.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(2-aminophenyl)methyl-(3-cyano-3-methylbutyl)amino]acetamide
CID 65253080
2-[(4-aminophenyl)methyl-(2-ethylsulfanylethyl)amino]acetamide
CID 113473702
2-[(3-cyano-3-methylbutyl)-methylamino]acetamide
CID 65251652
2-[(4-aminophenyl)methyl-(2-propan-2-yloxyethyl)amino]acetamide
CID 61485337
2-[(4-aminophenyl)methyl-[2-(methylamino)-2-oxoethyl]amino]acetamide
CID 43384149
4-[(2-amino-2-oxoethyl)-[(4-aminophenyl)methyl]amino]-N-methylbutanamide
CID 63890364
2-[butyl-(4-cyano-4-methylpentyl)amino]acetamide
CID 65257303
2-[(4-aminophenyl)methyl-[2-oxo-2-(propylamino)ethyl]amino]acetamide
CID 43461145
3-[(2-amino-2-oxoethyl)-[(4-aminophenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 62628056
2-[(4-aminophenyl)methyl-(2,2-difluoroethyl)amino]acetamide
CID 54939182
2-[(4-aminophenyl)methyl-propylamino]-N-carbamoylacetamide
CID 43459558
2-[(4-tert-butylphenyl)methyl-(2-methoxyethyl)amino]acetamide
CID 56815802

Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminophenyl)methyl-(3-cyano-3-methylbutyl)amino]acetamide?
The IUPAC name of 2-[(4-aminophenyl)methyl-(3-cyano-3-methylbutyl)amino]acetamide (CID 65253078) is 2-[(4-aminophenyl)methyl-(3-cyano-3-methylbutyl)amino]acetamide.
What is the SMILES notation for 2-[(4-aminophenyl)methyl-(3-cyano-3-methylbutyl)amino]acetamide?
The canonical SMILES for 2-[(4-aminophenyl)methyl-(3-cyano-3-methylbutyl)amino]acetamide is CC(C)(C#N)CCN(CC(N)=O)Cc1ccc(N)cc1.
What is the InChIKey of 2-[(4-aminophenyl)methyl-(3-cyano-3-methylbutyl)amino]acetamide?
The InChIKey is QNUKOGVQURVGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-15(2,11-16)7-8-19(10-14(18)20)9-12-3-5-13(17)6-4-12/h3-6H,7-10,17H2,1-2H3,(H2,18,20).
What are the key properties of 2-[(4-aminophenyl)methyl-(3-cyano-3-methylbutyl)amino]acetamide?
2-[(4-aminophenyl)methyl-(3-cyano-3-methylbutyl)amino]acetamide has a molecular weight of 274.37 g/mol, XLogP of 1.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminophenyl)methyl-(3-cyano-3-methylbutyl)amino]acetamide is sourced from PubChem (CID 65253078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).