4-azido-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide

C11H14N4O4 — CID 122365448

IUPAC4-azido-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide
SMILES[N-]=[N+]=Nc1ccc(C(=O)NC(CO)(CO)CO)cc1
InChIInChI=1S/C11H14N4O4/c12-15-14-9-3-1-8(2-4-9)10(19)13-11(5-16,6-17)7-18/h1-4,16-18H,5-7H2,(H,13,19)
InChIKeyNTBUSNYNHRFCFR-UHFFFAOYSA-N
MW266.26 g/mol
LogP0.07
Rot. Bonds6

About 4-azido-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide

4-azido-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide (PubChem CID 122365448) has the molecular formula C11H14N4O4 and a molecular weight of 266.26 g/mol. Its IUPAC name is 4-azido-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide.

Molecular Properties

Compound Name4-azido-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide
PubChem CID122365448
Molecular FormulaC11H14N4O4
Molecular Weight266.26 g/mol
Exact Mass266.10
IUPAC Name4-azido-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide
SMILES[N-]=[N+]=Nc1ccc(C(=O)NC(CO)(CO)CO)cc1
InChIInChI=1S/C11H14N4O4/c12-15-14-9-3-1-8(2-4-9)10(19)13-11(5-16,6-17)7-18/h1-4,16-18H,5-7H2,(H,13,19)
InChIKeyNTBUSNYNHRFCFR-UHFFFAOYSA-N
XLogP0.07
TPSA138.55 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 50.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

Cpi 1189
CID 151118
4-amino-N-(2-hydroxyethyl)benzamide
CID 458761
4-(Acetylamino)benzamide
CID 577727
(4-aminophenyl)-N,N-bis(2-hydroxyethyl)carboxamide
CID 3147191
N-tert-Butyl-4-aminobenzamide
CID 4126408
4-(dimethylamino)-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 57328059
n-(2-Hydroxyethyl)-4-nitrobenzamide
CID 241548
4-(Butanoylamino)benzamide
CID 730708
Glycine, N-(4-(3,3-dimethyl-1-triazenyl)benzoyl)-
CID 3042437
Alanine, N-(p-(3,3-dimethyl-1-triazeno)benzoyl)-
CID 24832870
4-amino-N-(3-hydroxypropyl)benzamide
CID 15877545
N-(4-formylphenyl)prop-2-enamide
CID 17930781

Frequently Asked Questions

What is the IUPAC name of 4-azido-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide?
The IUPAC name of 4-azido-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide (CID 122365448) is 4-azido-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide.
What is the SMILES notation for 4-azido-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide?
The canonical SMILES for 4-azido-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide is [N-]=[N+]=Nc1ccc(C(=O)NC(CO)(CO)CO)cc1.
What is the InChIKey of 4-azido-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide?
The InChIKey is NTBUSNYNHRFCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O4/c12-15-14-9-3-1-8(2-4-9)10(19)13-11(5-16,6-17)7-18/h1-4,16-18H,5-7H2,(H,13,19).
What are the key properties of 4-azido-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide?
4-azido-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide has a molecular weight of 266.26 g/mol, XLogP of 0.07, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azido-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide is sourced from PubChem (CID 122365448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).