4-amino-N-(3-amino-3-oxopropyl)-3-hydroxybenzamide

C10H13N3O3 — CID 107074095

IUPAC4-amino-N-(3-amino-3-oxopropyl)-3-hydroxybenzamide
SMILESNC(=O)CCNC(=O)c1ccc(N)c(O)c1
InChIInChI=1S/C10H13N3O3/c11-7-2-1-6(5-8(7)14)10(16)13-4-3-9(12)15/h1-2,5,14H,3-4,11H2,(H2,12,15)(H,13,16)
InChIKeyPZJDGZFATFMAAH-UHFFFAOYSA-N
MW223.23 g/mol
LogP-0.42
Rot. Bonds4

About 4-amino-N-(3-amino-3-oxopropyl)-3-hydroxybenzamide

4-amino-N-(3-amino-3-oxopropyl)-3-hydroxybenzamide (PubChem CID 107074095) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 4-amino-N-(3-amino-3-oxopropyl)-3-hydroxybenzamide.

Molecular Properties

Compound Name4-amino-N-(3-amino-3-oxopropyl)-3-hydroxybenzamide
PubChem CID107074095
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name4-amino-N-(3-amino-3-oxopropyl)-3-hydroxybenzamide
SMILESNC(=O)CCNC(=O)c1ccc(N)c(O)c1
InChIInChI=1S/C10H13N3O3/c11-7-2-1-6(5-8(7)14)10(16)13-4-3-9(12)15/h1-2,5,14H,3-4,11H2,(H2,12,15)(H,13,16)
InChIKeyPZJDGZFATFMAAH-UHFFFAOYSA-N
XLogP-0.42
TPSA118.44 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 5-0.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-dodecyl-3-hydroxybenzamide
CID 22411110
4-amino-N-[2-(diethylamino)ethyl]-3-hydroxybenzamide
CID 18999797
4-amino-N-(5-amino-5-oxopentyl)-3-methylbenzamide
CID 106233185
tert-butyl N-[2-[(4-amino-3-hydroxybenzoyl)amino]ethyl]carbamate
CID 102739374
4-amino-N-[2-[ethyl(methyl)amino]ethyl]-3-hydroxybenzamide
CID 107075159
4-[(3-amino-3-oxopropyl)carbamoyl]benzoic acid
CID 43553914
N-(3-amino-3-oxopropyl)-6-bromonaphthalene-2-carboxamide
CID 91636090
3-amino-N-(4-amino-4-oxobutyl)-4-methoxybenzamide
CID 60864435
4-amino-3-hydroxy-N-[4-(1H-imidazol-2-yl)-4-oxobutyl]benzamide
CID 22411234
N-(3-amino-3-oxopropyl)-2-oxo-1H-pyridine-4-carboxamide
CID 103765710
N-(3-amino-3-oxopropyl)-1,3-benzodioxole-5-carboxamide
CID 82083552
4-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-3-hydroxybenzamide
CID 106095382

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-amino-3-oxopropyl)-3-hydroxybenzamide?
The IUPAC name of 4-amino-N-(3-amino-3-oxopropyl)-3-hydroxybenzamide (CID 107074095) is 4-amino-N-(3-amino-3-oxopropyl)-3-hydroxybenzamide.
What is the SMILES notation for 4-amino-N-(3-amino-3-oxopropyl)-3-hydroxybenzamide?
The canonical SMILES for 4-amino-N-(3-amino-3-oxopropyl)-3-hydroxybenzamide is NC(=O)CCNC(=O)c1ccc(N)c(O)c1.
What is the InChIKey of 4-amino-N-(3-amino-3-oxopropyl)-3-hydroxybenzamide?
The InChIKey is PZJDGZFATFMAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c11-7-2-1-6(5-8(7)14)10(16)13-4-3-9(12)15/h1-2,5,14H,3-4,11H2,(H2,12,15)(H,13,16).
What are the key properties of 4-amino-N-(3-amino-3-oxopropyl)-3-hydroxybenzamide?
4-amino-N-(3-amino-3-oxopropyl)-3-hydroxybenzamide has a molecular weight of 223.23 g/mol, XLogP of -0.42, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-amino-3-oxopropyl)-3-hydroxybenzamide is sourced from PubChem (CID 107074095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).