2-amino-4-(3-oxopropoxy)benzamide

C10H12N2O3 — CID 142889118

IUPAC2-amino-4-(3-oxopropoxy)benzamide
SMILESNC(=O)c1ccc(OCCC=O)cc1N
InChIInChI=1S/C10H12N2O3/c11-9-6-7(15-5-1-4-13)2-3-8(9)10(12)14/h2-4,6H,1,5,11H2,(H2,12,14)
InChIKeyQZZAHZKUABAZTN-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.34
Rot. Bonds5

About 2-amino-4-(3-oxopropoxy)benzamide

2-amino-4-(3-oxopropoxy)benzamide (PubChem CID 142889118) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 2-amino-4-(3-oxopropoxy)benzamide.

Molecular Properties

Compound Name2-amino-4-(3-oxopropoxy)benzamide
PubChem CID142889118
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name2-amino-4-(3-oxopropoxy)benzamide
SMILESNC(=O)c1ccc(OCCC=O)cc1N
InChIInChI=1S/C10H12N2O3/c11-9-6-7(15-5-1-4-13)2-3-8(9)10(12)14/h2-4,6H,1,5,11H2,(H2,12,14)
InChIKeyQZZAHZKUABAZTN-UHFFFAOYSA-N
XLogP0.34
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-(fluoromethoxy)benzamide
CID 91219104
4-(3-oxopropoxy)phthalic acid
CID 57222594
2-amino-4-(2-aminoethoxy)benzoic acid
CID 177325721
2-amino-4-(2-hydroxyethoxy)benzoic acid
CID 104501008
2-amino-5-(3-hydroxypropoxy)benzamide
CID 61307251
2-amino-5-(2-ethoxyethoxy)benzamide
CID 61306678
methyl 2-amino-4-(2-methoxyethoxy)benzoate
CID 166066284
2,4-diethoxybenzamide
CID 17145726
3-(3-hydroxyphenoxy)propanal
CID 84765037
4-(3-chloropropoxy)-2-methylbenzamide
CID 68504171
2-amino-4-(2-propoxyethoxy)benzoic acid
CID 104501054
3-(3,4-diaminophenoxy)propyl carbamate
CID 138618165

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-oxopropoxy)benzamide?
The IUPAC name of 2-amino-4-(3-oxopropoxy)benzamide (CID 142889118) is 2-amino-4-(3-oxopropoxy)benzamide.
What is the SMILES notation for 2-amino-4-(3-oxopropoxy)benzamide?
The canonical SMILES for 2-amino-4-(3-oxopropoxy)benzamide is NC(=O)c1ccc(OCCC=O)cc1N.
What is the InChIKey of 2-amino-4-(3-oxopropoxy)benzamide?
The InChIKey is QZZAHZKUABAZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c11-9-6-7(15-5-1-4-13)2-3-8(9)10(12)14/h2-4,6H,1,5,11H2,(H2,12,14).
What are the key properties of 2-amino-4-(3-oxopropoxy)benzamide?
2-amino-4-(3-oxopropoxy)benzamide has a molecular weight of 208.22 g/mol, XLogP of 0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-oxopropoxy)benzamide is sourced from PubChem (CID 142889118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).