2-amino-N-[2-(2-hydroxy-6-nitroanilino)-2-oxoethyl]acetamide

C10H12N4O5 — CID 107681048

IUPAC2-amino-N-[2-(2-hydroxy-6-nitroanilino)-2-oxoethyl]acetamide
SMILESNCC(=O)NCC(=O)Nc1c(O)cccc1[N+](=O)[O-]
InChIInChI=1S/C10H12N4O5/c11-4-8(16)12-5-9(17)13-10-6(14(18)19)2-1-3-7(10)15/h1-3,15H,4-5,11H2,(H,12,16)(H,13,17)
InChIKeyPRQPUMULBUKITO-UHFFFAOYSA-N
MW268.23 g/mol
LogP-0.69
Rot. Bonds5

About 2-amino-N-[2-(2-hydroxy-6-nitroanilino)-2-oxoethyl]acetamide

2-amino-N-[2-(2-hydroxy-6-nitroanilino)-2-oxoethyl]acetamide (PubChem CID 107681048) has the molecular formula C10H12N4O5 and a molecular weight of 268.23 g/mol. Its IUPAC name is 2-amino-N-[2-(2-hydroxy-6-nitroanilino)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-(2-hydroxy-6-nitroanilino)-2-oxoethyl]acetamide
PubChem CID107681048
Molecular FormulaC10H12N4O5
Molecular Weight268.23 g/mol
Exact Mass268.08
IUPAC Name2-amino-N-[2-(2-hydroxy-6-nitroanilino)-2-oxoethyl]acetamide
SMILESNCC(=O)NCC(=O)Nc1c(O)cccc1[N+](=O)[O-]
InChIInChI=1S/C10H12N4O5/c11-4-8(16)12-5-9(17)13-10-6(14(18)19)2-1-3-7(10)15/h1-3,15H,4-5,11H2,(H,12,16)(H,13,17)
InChIKeyPRQPUMULBUKITO-UHFFFAOYSA-N
XLogP-0.69
TPSA147.59 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 5-0.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxy-6-nitrophenyl)-3-oxobutanamide
CID 107681107
N-(2-hydroxy-6-nitrophenyl)but-3-enamide
CID 107681224
N-(2-hydroxy-6-nitrophenyl)-2-phenoxyacetamide
CID 107681256
4-chloro-N-(2-hydroxy-6-nitrophenyl)butanamide
CID 107679551
N-(2-hydroxy-6-nitrophenyl)-3-phenylpropanamide
CID 107681392
N-(2-hydroxy-6-nitrophenyl)-2-propan-2-yloxyacetamide
CID 107681464
N-(2-hydroxy-6-nitrophenyl)-3-methylpentanamide
CID 107681171
2-amino-N-[2-(2,4-dimethyl-5-nitroanilino)-2-oxoethyl]acetamide
CID 104757722
N-(2-hydroxy-6-nitrophenyl)prop-2-enamide
CID 107679556
3-cyclohexyl-N-(2-hydroxy-6-nitrophenyl)propanamide
CID 107681385
2-amino-N-[2-[(5-hydroxynaphthalen-1-yl)amino]-2-oxoethyl]acetamide
CID 60849261
N-(2-hydroxy-6-nitrophenyl)-2-pyrrolidin-3-ylacetamide
CID 107680976

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(2-hydroxy-6-nitroanilino)-2-oxoethyl]acetamide?
The IUPAC name of 2-amino-N-[2-(2-hydroxy-6-nitroanilino)-2-oxoethyl]acetamide (CID 107681048) is 2-amino-N-[2-(2-hydroxy-6-nitroanilino)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-(2-hydroxy-6-nitroanilino)-2-oxoethyl]acetamide?
The canonical SMILES for 2-amino-N-[2-(2-hydroxy-6-nitroanilino)-2-oxoethyl]acetamide is NCC(=O)NCC(=O)Nc1c(O)cccc1[N+](=O)[O-].
What is the InChIKey of 2-amino-N-[2-(2-hydroxy-6-nitroanilino)-2-oxoethyl]acetamide?
The InChIKey is PRQPUMULBUKITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O5/c11-4-8(16)12-5-9(17)13-10-6(14(18)19)2-1-3-7(10)15/h1-3,15H,4-5,11H2,(H,12,16)(H,13,17).
What are the key properties of 2-amino-N-[2-(2-hydroxy-6-nitroanilino)-2-oxoethyl]acetamide?
2-amino-N-[2-(2-hydroxy-6-nitroanilino)-2-oxoethyl]acetamide has a molecular weight of 268.23 g/mol, XLogP of -0.69, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(2-hydroxy-6-nitroanilino)-2-oxoethyl]acetamide is sourced from PubChem (CID 107681048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).