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

C16H19N5O2 — CID 102158017

IUPAC2-[[2-(2-aminoanilino)-2-oxoethyl]amino]-N-(2-aminophenyl)acetamide
SMILESNc1ccccc1NC(=O)CNCC(=O)Nc1ccccc1N
InChIInChI=1S/C16H19N5O2/c17-11-5-1-3-7-13(11)20-15(22)9-19-10-16(23)21-14-8-4-2-6-12(14)18/h1-8,19H,9-10,17-18H2,(H,20,22)(H,21,23)
InChIKeyJVBGILQPMQHQIG-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.02
Rot. Bonds6

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

2-[[2-(2-aminoanilino)-2-oxoethyl]amino]-N-(2-aminophenyl)acetamide (PubChem CID 102158017) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 2-[[2-(2-aminoanilino)-2-oxoethyl]amino]-N-(2-aminophenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(2-aminoanilino)-2-oxoethyl]amino]-N-(2-aminophenyl)acetamide
PubChem CID102158017
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name2-[[2-(2-aminoanilino)-2-oxoethyl]amino]-N-(2-aminophenyl)acetamide
SMILESNc1ccccc1NC(=O)CNCC(=O)Nc1ccccc1N
InChIInChI=1S/C16H19N5O2/c17-11-5-1-3-7-13(11)20-15(22)9-19-10-16(23)21-14-8-4-2-6-12(14)18/h1-8,19H,9-10,17-18H2,(H,20,22)(H,21,23)
InChIKeyJVBGILQPMQHQIG-UHFFFAOYSA-N
XLogP1.02
TPSA122.27 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.02
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminophenyl)-2-bromoacetamide
CID 89401895
2-(2-aminoanilino)-2-oxoethanesulfinic acid
CID 175416485
N-(2-aminophenyl)-7-oxoheptanamide
CID 143955349
N-(2-aminophenyl)-2-cyclopentylsulfanylacetamide
CID 63114529
N-(2-aminophenyl)-3,3-diphenylpropanamide
CID 28866940
2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]acetic acid
CID 43466135
N-(2-aminophenyl)-2-cyclopentylacetamide;hydrochloride
CID 119259903
N-(2-aminophenyl)-1-phosphanylformamide;ethane
CID 90955856
N-(2-aminophenyl)-3-(1,3-dihydroisoindol-2-yl)propanamide
CID 62206919
N-(2-aminophenyl)-3-ethylpentanamide
CID 119422237
N-(2-aminophenyl)pent-4-ynamide
CID 102315557
N-(2-aminophenyl)-2-(4,5-dimethylimidazol-1-yl)acetamide
CID 55064353

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-aminoanilino)-2-oxoethyl]amino]-N-(2-aminophenyl)acetamide?
The IUPAC name of 2-[[2-(2-aminoanilino)-2-oxoethyl]amino]-N-(2-aminophenyl)acetamide (CID 102158017) is 2-[[2-(2-aminoanilino)-2-oxoethyl]amino]-N-(2-aminophenyl)acetamide.
What is the SMILES notation for 2-[[2-(2-aminoanilino)-2-oxoethyl]amino]-N-(2-aminophenyl)acetamide?
The canonical SMILES for 2-[[2-(2-aminoanilino)-2-oxoethyl]amino]-N-(2-aminophenyl)acetamide is Nc1ccccc1NC(=O)CNCC(=O)Nc1ccccc1N.
What is the InChIKey of 2-[[2-(2-aminoanilino)-2-oxoethyl]amino]-N-(2-aminophenyl)acetamide?
The InChIKey is JVBGILQPMQHQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c17-11-5-1-3-7-13(11)20-15(22)9-19-10-16(23)21-14-8-4-2-6-12(14)18/h1-8,19H,9-10,17-18H2,(H,20,22)(H,21,23).
What are the key properties of 2-[[2-(2-aminoanilino)-2-oxoethyl]amino]-N-(2-aminophenyl)acetamide?
2-[[2-(2-aminoanilino)-2-oxoethyl]amino]-N-(2-aminophenyl)acetamide has a molecular weight of 313.36 g/mol, XLogP of 1.02, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-aminoanilino)-2-oxoethyl]amino]-N-(2-aminophenyl)acetamide is sourced from PubChem (CID 102158017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).