2-amino-N-(2-hydroxyethyl)-5-nitro-N-propan-2-ylbenzamide

C12H17N3O4 — CID 62186189

IUPAC2-amino-N-(2-hydroxyethyl)-5-nitro-N-propan-2-ylbenzamide
SMILESCC(C)N(CCO)C(=O)c1cc([N+](=O)[O-])ccc1N
InChIInChI=1S/C12H17N3O4/c1-8(2)14(5-6-16)12(17)10-7-9(15(18)19)3-4-11(10)13/h3-4,7-8,16H,5-6,13H2,1-2H3
InChIKeyYXFTZQAOWZIZEU-UHFFFAOYSA-N
MW267.28 g/mol
LogP1.02
Rot. Bonds5

About 2-amino-N-(2-hydroxyethyl)-5-nitro-N-propan-2-ylbenzamide

2-amino-N-(2-hydroxyethyl)-5-nitro-N-propan-2-ylbenzamide (PubChem CID 62186189) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-amino-N-(2-hydroxyethyl)-5-nitro-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-amino-N-(2-hydroxyethyl)-5-nitro-N-propan-2-ylbenzamide
PubChem CID62186189
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name2-amino-N-(2-hydroxyethyl)-5-nitro-N-propan-2-ylbenzamide
SMILESCC(C)N(CCO)C(=O)c1cc([N+](=O)[O-])ccc1N
InChIInChI=1S/C12H17N3O4/c1-8(2)14(5-6-16)12(17)10-7-9(15(18)19)3-4-11(10)13/h3-4,7-8,16H,5-6,13H2,1-2H3
InChIKeyYXFTZQAOWZIZEU-UHFFFAOYSA-N
XLogP1.02
TPSA109.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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

2-amino-5-hydroxy-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide
CID 107074136
N-(2-hydroxyethyl)-4-nitro-N-propan-2-ylbenzamide
CID 43573013
2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-nitrobenzamide
CID 107486037
2-amino-N-methyl-N-(2-methylpropyl)-5-nitrobenzamide
CID 62155970
2-amino-N-cyclobutyl-N-(2-hydroxyethyl)-5-nitrobenzamide
CID 102870405
N-(3-chloropropyl)-2-methyl-5-nitro-N-propan-2-ylbenzamide
CID 63390779
2-amino-5-fluoro-N-(2-hydroxyethyl)-3-nitro-N-propan-2-ylbenzamide
CID 103829178
2-fluoro-N-(2-methylpropyl)-5-nitro-N-propan-2-ylbenzamide
CID 61052359
2-[(2-fluoro-5-nitrobenzoyl)-propan-2-ylamino]acetic acid
CID 60832066
N-(2-cyanoethyl)-2-iodo-5-nitro-N-propan-2-ylbenzamide
CID 61040915
2,4-difluoro-N-(2-hydroxyethyl)-5-nitro-N-propan-2-ylbenzamide
CID 43573536
2-amino-N-butyl-N-ethyl-5-nitrobenzamide
CID 62072954

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-hydroxyethyl)-5-nitro-N-propan-2-ylbenzamide?
The IUPAC name of 2-amino-N-(2-hydroxyethyl)-5-nitro-N-propan-2-ylbenzamide (CID 62186189) is 2-amino-N-(2-hydroxyethyl)-5-nitro-N-propan-2-ylbenzamide.
What is the SMILES notation for 2-amino-N-(2-hydroxyethyl)-5-nitro-N-propan-2-ylbenzamide?
The canonical SMILES for 2-amino-N-(2-hydroxyethyl)-5-nitro-N-propan-2-ylbenzamide is CC(C)N(CCO)C(=O)c1cc([N+](=O)[O-])ccc1N.
What is the InChIKey of 2-amino-N-(2-hydroxyethyl)-5-nitro-N-propan-2-ylbenzamide?
The InChIKey is YXFTZQAOWZIZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-8(2)14(5-6-16)12(17)10-7-9(15(18)19)3-4-11(10)13/h3-4,7-8,16H,5-6,13H2,1-2H3.
What are the key properties of 2-amino-N-(2-hydroxyethyl)-5-nitro-N-propan-2-ylbenzamide?
2-amino-N-(2-hydroxyethyl)-5-nitro-N-propan-2-ylbenzamide has a molecular weight of 267.28 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-hydroxyethyl)-5-nitro-N-propan-2-ylbenzamide is sourced from PubChem (CID 62186189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).