2-amino-N-[2-(2-aminophenyl)-2-oxoethyl]acetamide

C10H13N3O2 — CID 21125527

IUPAC2-amino-N-[2-(2-aminophenyl)-2-oxoethyl]acetamide
SMILESNCC(=O)NCC(=O)c1ccccc1N
InChIInChI=1S/C10H13N3O2/c11-5-10(15)13-6-9(14)7-3-1-2-4-8(7)12/h1-4H,5-6,11-12H2,(H,13,15)
InChIKeyQOSFCSCORSBGLQ-UHFFFAOYSA-N
MW207.23 g/mol
LogP-0.47
Rot. Bonds4

About 2-amino-N-[2-(2-aminophenyl)-2-oxoethyl]acetamide

2-amino-N-[2-(2-aminophenyl)-2-oxoethyl]acetamide (PubChem CID 21125527) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 2-amino-N-[2-(2-aminophenyl)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-(2-aminophenyl)-2-oxoethyl]acetamide
PubChem CID21125527
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name2-amino-N-[2-(2-aminophenyl)-2-oxoethyl]acetamide
SMILESNCC(=O)NCC(=O)c1ccccc1N
InChIInChI=1S/C10H13N3O2/c11-5-10(15)13-6-9(14)7-3-1-2-4-8(7)12/h1-4H,5-6,11-12H2,(H,13,15)
InChIKeyQOSFCSCORSBGLQ-UHFFFAOYSA-N
XLogP-0.47
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 5-0.47
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

4-(2-aminophenyl)-2,4-dioxobutanoic acid
CID 472
1-(6-amino(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)-2-chloro(1,2-13C2)ethanone
CID 169433412
4-amino-1-(2-aminophenyl)butan-1-one
CID 54530410
2-[2-[(2-aminoacetyl)amino]acetyl]terephthalic acid
CID 69177261
2-amino-N-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]acetamide
CID 66569055
1-(2-aminophenyl)but-3-yn-1-one
CID 64831983
S-phenyl 2-[(2-aminoacetyl)amino]ethanethioate
CID 162410967
5-(2-aminophenyl)-5-oxopentanoic acid
CID 14382100
3-(2-aminophenyl)-3-oxopropanenitrile
CID 15723623
1-(2-aminophenyl)-3-trimethylsilylpropan-1-one;hydrochloride
CID 86718836
2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-bromobenzoic acid
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2-amino-N-[2-(2-methylanilino)-2-oxoethyl]acetamide
CID 60848997

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(2-aminophenyl)-2-oxoethyl]acetamide?
The IUPAC name of 2-amino-N-[2-(2-aminophenyl)-2-oxoethyl]acetamide (CID 21125527) is 2-amino-N-[2-(2-aminophenyl)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-(2-aminophenyl)-2-oxoethyl]acetamide?
The canonical SMILES for 2-amino-N-[2-(2-aminophenyl)-2-oxoethyl]acetamide is NCC(=O)NCC(=O)c1ccccc1N.
What is the InChIKey of 2-amino-N-[2-(2-aminophenyl)-2-oxoethyl]acetamide?
The InChIKey is QOSFCSCORSBGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c11-5-10(15)13-6-9(14)7-3-1-2-4-8(7)12/h1-4H,5-6,11-12H2,(H,13,15).
What are the key properties of 2-amino-N-[2-(2-aminophenyl)-2-oxoethyl]acetamide?
2-amino-N-[2-(2-aminophenyl)-2-oxoethyl]acetamide has a molecular weight of 207.23 g/mol, XLogP of -0.47, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(2-aminophenyl)-2-oxoethyl]acetamide is sourced from PubChem (CID 21125527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).