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

C15H22N4O — CID 65253080

IUPAC2-[(2-aminophenyl)methyl-(3-cyano-3-methylbutyl)amino]acetamide
SMILESCC(C)(C#N)CCN(CC(N)=O)Cc1ccccc1N
InChIInChI=1S/C15H22N4O/c1-15(2,11-16)7-8-19(10-14(18)20)9-12-5-3-4-6-13(12)17/h3-6H,7-10,17H2,1-2H3,(H2,18,20)
InChIKeyDELJNXZJBQVUKL-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.50
Rot. Bonds7

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

2-[(2-aminophenyl)methyl-(3-cyano-3-methylbutyl)amino]acetamide (PubChem CID 65253080) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-[(2-aminophenyl)methyl-(3-cyano-3-methylbutyl)amino]acetamide.

Molecular Properties

Compound Name2-[(2-aminophenyl)methyl-(3-cyano-3-methylbutyl)amino]acetamide
PubChem CID65253080
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name2-[(2-aminophenyl)methyl-(3-cyano-3-methylbutyl)amino]acetamide
SMILESCC(C)(C#N)CCN(CC(N)=O)Cc1ccccc1N
InChIInChI=1S/C15H22N4O/c1-15(2,11-16)7-8-19(10-14(18)20)9-12-5-3-4-6-13(12)17/h3-6H,7-10,17H2,1-2H3,(H2,18,20)
InChIKeyDELJNXZJBQVUKL-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': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(4-aminophenyl)methyl-(3-cyano-3-methylbutyl)amino]acetamide
CID 65253078
6-[(2-aminophenyl)methyl-ethylamino]-2,2-dimethylhexanenitrile
CID 106712874
4-[(2-aminophenyl)methyl-propan-2-ylamino]-2,2-dimethylbutanenitrile
CID 65252977
2-[(2-aminophenyl)methyl-(pyrimidin-2-ylmethyl)amino]acetamide
CID 62700876
2-[(2-aminophenyl)methyl-[(2-fluorophenyl)methyl]amino]acetamide
CID 43461380
5-[(2-aminophenyl)methyl-propan-2-ylamino]-2,2-dimethylpentanenitrile
CID 65255928
2-[(2-aminophenyl)methyl-(2,2-difluoroethyl)amino]acetamide
CID 54939184
2-[butyl-(4-cyano-4-methylpentyl)amino]acetamide
CID 65257303
2-[(3-cyano-3-methylbutyl)-methylamino]acetamide
CID 65251652
2-[(2-aminophenyl)methyl-[(4-chlorophenyl)methyl]amino]acetamide
CID 43461333
2-[acetyl-[(2-aminophenyl)methyl]amino]acetamide
CID 43461279
2-[(2-aminophenyl)methyl-(cyclohexylmethyl)amino]acetamide
CID 43461373

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminophenyl)methyl-(3-cyano-3-methylbutyl)amino]acetamide?
The IUPAC name of 2-[(2-aminophenyl)methyl-(3-cyano-3-methylbutyl)amino]acetamide (CID 65253080) is 2-[(2-aminophenyl)methyl-(3-cyano-3-methylbutyl)amino]acetamide.
What is the SMILES notation for 2-[(2-aminophenyl)methyl-(3-cyano-3-methylbutyl)amino]acetamide?
The canonical SMILES for 2-[(2-aminophenyl)methyl-(3-cyano-3-methylbutyl)amino]acetamide is CC(C)(C#N)CCN(CC(N)=O)Cc1ccccc1N.
What is the InChIKey of 2-[(2-aminophenyl)methyl-(3-cyano-3-methylbutyl)amino]acetamide?
The InChIKey is DELJNXZJBQVUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-15(2,11-16)7-8-19(10-14(18)20)9-12-5-3-4-6-13(12)17/h3-6H,7-10,17H2,1-2H3,(H2,18,20).
What are the key properties of 2-[(2-aminophenyl)methyl-(3-cyano-3-methylbutyl)amino]acetamide?
2-[(2-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-[(2-aminophenyl)methyl-(3-cyano-3-methylbutyl)amino]acetamide is sourced from PubChem (CID 65253080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).