2-[[2-(4-aminoanilino)-2-oxoethyl]-(2-amino-2-oxoethyl)amino]acetamide

C12H17N5O3 — CID 62924176

IUPAC2-[[2-(4-aminoanilino)-2-oxoethyl]-(2-amino-2-oxoethyl)amino]acetamide
SMILESNC(=O)CN(CC(N)=O)CC(=O)Nc1ccc(N)cc1
InChIInChI=1S/C12H17N5O3/c13-8-1-3-9(4-2-8)16-12(20)7-17(5-10(14)18)6-11(15)19/h1-4H,5-7,13H2,(H2,14,18)(H2,15,19)(H,16,20)
InChIKeyGKDCGXIAKORHFZ-UHFFFAOYSA-N
MW279.30 g/mol
LogP-1.52
Rot. Bonds7

About 2-[[2-(4-aminoanilino)-2-oxoethyl]-(2-amino-2-oxoethyl)amino]acetamide

2-[[2-(4-aminoanilino)-2-oxoethyl]-(2-amino-2-oxoethyl)amino]acetamide (PubChem CID 62924176) has the molecular formula C12H17N5O3 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-[[2-(4-aminoanilino)-2-oxoethyl]-(2-amino-2-oxoethyl)amino]acetamide.

Molecular Properties

Compound Name2-[[2-(4-aminoanilino)-2-oxoethyl]-(2-amino-2-oxoethyl)amino]acetamide
PubChem CID62924176
Molecular FormulaC12H17N5O3
Molecular Weight279.30 g/mol
Exact Mass279.13
IUPAC Name2-[[2-(4-aminoanilino)-2-oxoethyl]-(2-amino-2-oxoethyl)amino]acetamide
SMILESNC(=O)CN(CC(N)=O)CC(=O)Nc1ccc(N)cc1
InChIInChI=1S/C12H17N5O3/c13-8-1-3-9(4-2-8)16-12(20)7-17(5-10(14)18)6-11(15)19/h1-4H,5-7,13H2,(H2,14,18)(H2,15,19)(H,16,20)
InChIKeyGKDCGXIAKORHFZ-UHFFFAOYSA-N
XLogP-1.52
TPSA144.54 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 5-1.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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

4-[(2-amino-2-oxoethyl)-ethylamino]-N-(4-aminophenyl)butanamide
CID 103101347
2-[[2-(4-amino-2-chloroanilino)-2-oxoethyl]-(2-amino-2-oxoethyl)amino]acetamide
CID 62921849
N-(4-aminophenyl)-2-[ethyl(methyl)amino]acetamide
CID 43263037
2-[[2-(5-amino-2-fluoroanilino)-2-oxoethyl]-(2-amino-2-oxoethyl)amino]acetamide
CID 62924177
N-(4-aminophenyl)-2-[2-hydroxyethyl(propyl)amino]acetamide
CID 61425121
N-(4-aminophenyl)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide
CID 43374598
2-[(4-aminophenyl)methyl-[2-(methylamino)-2-oxoethyl]amino]acetamide
CID 43384149
N-(4-aminophenyl)-2-chloroacetamide
CID 17325387
N-(4-aminophenyl)-2-[bis(2-amino-2-oxoethyl)amino]propanamide
CID 62921681
2-[(4-aminophenyl)methyl-[6-[(4-aminophenyl)methyl-[2-(4-iodoanilino)-2-oxoethyl]amino]hexyl]amino]-N-(4-iodophenyl)acetamide
CID 155453992
2-[(2-amino-2-oxoethyl)-[2-(3-fluoroanilino)-2-oxoethyl]amino]acetic acid
CID 107440293
2-(4-amino-N-ethylanilino)-N-(4-chlorophenyl)acetamide
CID 63233662

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-aminoanilino)-2-oxoethyl]-(2-amino-2-oxoethyl)amino]acetamide?
The IUPAC name of 2-[[2-(4-aminoanilino)-2-oxoethyl]-(2-amino-2-oxoethyl)amino]acetamide (CID 62924176) is 2-[[2-(4-aminoanilino)-2-oxoethyl]-(2-amino-2-oxoethyl)amino]acetamide.
What is the SMILES notation for 2-[[2-(4-aminoanilino)-2-oxoethyl]-(2-amino-2-oxoethyl)amino]acetamide?
The canonical SMILES for 2-[[2-(4-aminoanilino)-2-oxoethyl]-(2-amino-2-oxoethyl)amino]acetamide is NC(=O)CN(CC(N)=O)CC(=O)Nc1ccc(N)cc1.
What is the InChIKey of 2-[[2-(4-aminoanilino)-2-oxoethyl]-(2-amino-2-oxoethyl)amino]acetamide?
The InChIKey is GKDCGXIAKORHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O3/c13-8-1-3-9(4-2-8)16-12(20)7-17(5-10(14)18)6-11(15)19/h1-4H,5-7,13H2,(H2,14,18)(H2,15,19)(H,16,20).
What are the key properties of 2-[[2-(4-aminoanilino)-2-oxoethyl]-(2-amino-2-oxoethyl)amino]acetamide?
2-[[2-(4-aminoanilino)-2-oxoethyl]-(2-amino-2-oxoethyl)amino]acetamide has a molecular weight of 279.30 g/mol, XLogP of -1.52, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-aminoanilino)-2-oxoethyl]-(2-amino-2-oxoethyl)amino]acetamide is sourced from PubChem (CID 62924176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).