2-[acetyl-[(2-aminophenyl)methyl]amino]acetamide

C11H15N3O2 — CID 43461279

IUPAC2-[acetyl-[(2-aminophenyl)methyl]amino]acetamide
SMILESCC(=O)N(CC(N)=O)Cc1ccccc1N
InChIInChI=1S/C11H15N3O2/c1-8(15)14(7-11(13)16)6-9-4-2-3-5-10(9)12/h2-5H,6-7,12H2,1H3,(H2,13,16)
InChIKeyBKBWCVBCDYZJBE-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.10
Rot. Bonds4

About 2-[acetyl-[(2-aminophenyl)methyl]amino]acetamide

2-[acetyl-[(2-aminophenyl)methyl]amino]acetamide (PubChem CID 43461279) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-[acetyl-[(2-aminophenyl)methyl]amino]acetamide.

Molecular Properties

Compound Name2-[acetyl-[(2-aminophenyl)methyl]amino]acetamide
PubChem CID43461279
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name2-[acetyl-[(2-aminophenyl)methyl]amino]acetamide
SMILESCC(=O)N(CC(N)=O)Cc1ccccc1N
InChIInChI=1S/C11H15N3O2/c1-8(15)14(7-11(13)16)6-9-4-2-3-5-10(9)12/h2-5H,6-7,12H2,1H3,(H2,13,16)
InChIKeyBKBWCVBCDYZJBE-UHFFFAOYSA-N
XLogP0.10
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N,N-bis(2-amino-2-oxoethyl)-2-(2-aminophenyl)acetamide
CID 55157593
N-(2-amino-2-oxoethyl)-N-[(2-aminophenyl)methyl]-3-methylthiophene-2-carboxamide
CID 43461291
N-(2-amino-2-oxoethyl)-N-[(2-aminophenyl)methyl]-2-methylpyrazole-3-carboxamide
CID 62921137
N-(2-amino-2-oxoethyl)-N-[(2-aminophenyl)methyl]-1-methylpyrazole-3-carboxamide
CID 103116038
N-(2-amino-2-oxoethyl)-N-[(2-aminophenyl)methyl]oxolane-3-carboxamide
CID 61272179
2-[(2-aminophenyl)methyl-[(2-fluorophenyl)methyl]amino]acetamide
CID 43461380
N-(2-amino-2-oxoethyl)-N-[(2-aminophenyl)methyl]-1,4-dioxane-2-carboxamide
CID 62798498
2-[(2-aminophenyl)methyl-(2,2-difluoroethyl)amino]acetamide
CID 54939184
2-[(2-aminophenyl)methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]acetamide
CID 65208045
2-[(2-aminophenyl)methyl-(pyrimidin-2-ylmethyl)amino]acetamide
CID 62700876
N,N-bis[(2-hydroxyphenyl)methyl]acetamide
CID 88774811
2-[(2-aminophenyl)methyl-[(3-chlorophenyl)methyl]amino]acetamide
CID 43461381

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-[(2-aminophenyl)methyl]amino]acetamide?
The IUPAC name of 2-[acetyl-[(2-aminophenyl)methyl]amino]acetamide (CID 43461279) is 2-[acetyl-[(2-aminophenyl)methyl]amino]acetamide.
What is the SMILES notation for 2-[acetyl-[(2-aminophenyl)methyl]amino]acetamide?
The canonical SMILES for 2-[acetyl-[(2-aminophenyl)methyl]amino]acetamide is CC(=O)N(CC(N)=O)Cc1ccccc1N.
What is the InChIKey of 2-[acetyl-[(2-aminophenyl)methyl]amino]acetamide?
The InChIKey is BKBWCVBCDYZJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-8(15)14(7-11(13)16)6-9-4-2-3-5-10(9)12/h2-5H,6-7,12H2,1H3,(H2,13,16).
What are the key properties of 2-[acetyl-[(2-aminophenyl)methyl]amino]acetamide?
2-[acetyl-[(2-aminophenyl)methyl]amino]acetamide has a molecular weight of 221.26 g/mol, XLogP of 0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-[(2-aminophenyl)methyl]amino]acetamide is sourced from PubChem (CID 43461279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).