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

C10H13N3O3 — CID 106956094

IUPAC5-amino-2-(3-amino-3-oxopropoxy)benzamide
SMILESNC(=O)CCOc1ccc(N)cc1C(N)=O
InChIInChI=1S/C10H13N3O3/c11-6-1-2-8(7(5-6)10(13)15)16-4-3-9(12)14/h1-2,5H,3-4,11H2,(H2,12,14)(H2,13,15)
InChIKeyUYVCIUCYUPEWDW-UHFFFAOYSA-N
MW223.23 g/mol
LogP-0.38
Rot. Bonds5

About 5-amino-2-(3-amino-3-oxopropoxy)benzamide

5-amino-2-(3-amino-3-oxopropoxy)benzamide (PubChem CID 106956094) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 5-amino-2-(3-amino-3-oxopropoxy)benzamide.

Molecular Properties

Compound Name5-amino-2-(3-amino-3-oxopropoxy)benzamide
PubChem CID106956094
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name5-amino-2-(3-amino-3-oxopropoxy)benzamide
SMILESNC(=O)CCOc1ccc(N)cc1C(N)=O
InChIInChI=1S/C10H13N3O3/c11-6-1-2-8(7(5-6)10(13)15)16-4-3-9(12)14/h1-2,5H,3-4,11H2,(H2,12,14)(H2,13,15)
InChIKeyUYVCIUCYUPEWDW-UHFFFAOYSA-N
XLogP-0.38
TPSA121.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 61305277
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CID 106956095
2-(3-amino-3-oxopropoxy)benzamide
CID 60713061
5-amino-2-[2-(4-bromophenoxy)ethoxy]benzamide
CID 106956131
5-amino-2-(2,2,2-trifluoroethoxy)benzamide
CID 61312859
5-amino-2-(2-methoxypropoxy)benzamide
CID 106956252
5-amino-2-(2,2,3,3-tetrafluoropropoxy)benzamide
CID 55136526
5-amino-2-(2-methylpentoxy)benzamide
CID 103284499
3-(2-aminophenoxy)propanamide
CID 39869131
5-amino-2-[(2,5-dimethylphenyl)methoxy]benzamide
CID 106956236
3-(5-amino-2-methoxyphenoxy)propanoic acid
CID 63948669

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(3-amino-3-oxopropoxy)benzamide?
The IUPAC name of 5-amino-2-(3-amino-3-oxopropoxy)benzamide (CID 106956094) is 5-amino-2-(3-amino-3-oxopropoxy)benzamide.
What is the SMILES notation for 5-amino-2-(3-amino-3-oxopropoxy)benzamide?
The canonical SMILES for 5-amino-2-(3-amino-3-oxopropoxy)benzamide is NC(=O)CCOc1ccc(N)cc1C(N)=O.
What is the InChIKey of 5-amino-2-(3-amino-3-oxopropoxy)benzamide?
The InChIKey is UYVCIUCYUPEWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c11-6-1-2-8(7(5-6)10(13)15)16-4-3-9(12)14/h1-2,5H,3-4,11H2,(H2,12,14)(H2,13,15).
What are the key properties of 5-amino-2-(3-amino-3-oxopropoxy)benzamide?
5-amino-2-(3-amino-3-oxopropoxy)benzamide has a molecular weight of 223.23 g/mol, XLogP of -0.38, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(3-amino-3-oxopropoxy)benzamide is sourced from PubChem (CID 106956094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).