N,N-bis(2-amino-2-oxoethyl)-2-(2-aminophenyl)acetamide

C12H16N4O3 — CID 55157593

IUPACN,N-bis(2-amino-2-oxoethyl)-2-(2-aminophenyl)acetamide
SMILESNC(=O)CN(CC(N)=O)C(=O)Cc1ccccc1N
InChIInChI=1S/C12H16N4O3/c13-9-4-2-1-3-8(9)5-12(19)16(6-10(14)17)7-11(15)18/h1-4H,5-7,13H2,(H2,14,17)(H2,15,18)
InChIKeyJOGMDDQZSZDXAO-UHFFFAOYSA-N
MW264.28 g/mol
LogP-1.39
Rot. Bonds6

About N,N-bis(2-amino-2-oxoethyl)-2-(2-aminophenyl)acetamide

N,N-bis(2-amino-2-oxoethyl)-2-(2-aminophenyl)acetamide (PubChem CID 55157593) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is N,N-bis(2-amino-2-oxoethyl)-2-(2-aminophenyl)acetamide.

Molecular Properties

Compound NameN,N-bis(2-amino-2-oxoethyl)-2-(2-aminophenyl)acetamide
PubChem CID55157593
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC NameN,N-bis(2-amino-2-oxoethyl)-2-(2-aminophenyl)acetamide
SMILESNC(=O)CN(CC(N)=O)C(=O)Cc1ccccc1N
InChIInChI=1S/C12H16N4O3/c13-9-4-2-1-3-8(9)5-12(19)16(6-10(14)17)7-11(15)18/h1-4H,5-7,13H2,(H2,14,17)(H2,15,18)
InChIKeyJOGMDDQZSZDXAO-UHFFFAOYSA-N
XLogP-1.39
TPSA132.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 5-1.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[acetyl-[(2-aminophenyl)methyl]amino]acetamide
CID 43461279
2-(2-aminophenyl)-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 61118628
2-(2-aminophenyl)-N,N-dimethylacetamide;hydrochloride
CID 141352115
2-(2-aminophenyl)-N,N-bis(2-cyanoethyl)acetamide
CID 61114789
2-(2-aminophenyl)-N,N-diphenylacetamide
CID 156705003
2-(2-aminophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)acetamide
CID 61107155
N-(2-amino-2-oxoethyl)-N-[(2-aminophenyl)methyl]-2-methylpyrazole-3-carboxamide
CID 62921137
N-(2-amino-2-oxoethyl)-N-[(2-aminophenyl)methyl]-3-methylthiophene-2-carboxamide
CID 43461291
2-[(2-aminophenyl)methylsulfonyl-methylamino]acetamide
CID 62020888
2-[(2-aminophenyl)methyl-[(2-fluorophenyl)methyl]amino]acetamide
CID 43461380
2-(2-aminophenyl)acetyl bromide;hydrobromide
CID 71437218
2-[2-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]-2-oxoethyl]benzoic acid
CID 115923695

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-amino-2-oxoethyl)-2-(2-aminophenyl)acetamide?
The IUPAC name of N,N-bis(2-amino-2-oxoethyl)-2-(2-aminophenyl)acetamide (CID 55157593) is N,N-bis(2-amino-2-oxoethyl)-2-(2-aminophenyl)acetamide.
What is the SMILES notation for N,N-bis(2-amino-2-oxoethyl)-2-(2-aminophenyl)acetamide?
The canonical SMILES for N,N-bis(2-amino-2-oxoethyl)-2-(2-aminophenyl)acetamide is NC(=O)CN(CC(N)=O)C(=O)Cc1ccccc1N.
What is the InChIKey of N,N-bis(2-amino-2-oxoethyl)-2-(2-aminophenyl)acetamide?
The InChIKey is JOGMDDQZSZDXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c13-9-4-2-1-3-8(9)5-12(19)16(6-10(14)17)7-11(15)18/h1-4H,5-7,13H2,(H2,14,17)(H2,15,18).
What are the key properties of N,N-bis(2-amino-2-oxoethyl)-2-(2-aminophenyl)acetamide?
N,N-bis(2-amino-2-oxoethyl)-2-(2-aminophenyl)acetamide has a molecular weight of 264.28 g/mol, XLogP of -1.39, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-amino-2-oxoethyl)-2-(2-aminophenyl)acetamide is sourced from PubChem (CID 55157593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).