4-amino-N-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamoyl]benzamide

C14H19N3O7 — CID 24856352

IUPAC4-amino-N-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamoyl]benzamide
SMILESNc1ccc(C(=O)NC(=O)N[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
InChIInChI=1S/C14H19N3O7/c15-7-3-1-6(2-4-7)12(22)16-14(23)17-13-11(21)10(20)9(19)8(5-18)24-13/h1-4,8-11,13,18-21H,5,15H2,(H2,16,17,22,23)/t8-,9-,10+,11-,13-/m1/s1
InChIKeyPVSVRIIRRQSFIR-BZNQNGANSA-N
MW341.32 g/mol
LogP-2.49
Rot. Bonds3

About 4-amino-N-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamoyl]benzamide

4-amino-N-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamoyl]benzamide (PubChem CID 24856352) has the molecular formula C14H19N3O7 and a molecular weight of 341.32 g/mol. Its IUPAC name is 4-amino-N-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamoyl]benzamide.

Molecular Properties

Compound Name4-amino-N-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamoyl]benzamide
PubChem CID24856352
Molecular FormulaC14H19N3O7
Molecular Weight341.32 g/mol
Exact Mass341.12
IUPAC Name4-amino-N-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamoyl]benzamide
SMILESNc1ccc(C(=O)NC(=O)N[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
InChIInChI=1S/C14H19N3O7/c15-7-3-1-6(2-4-7)12(22)16-14(23)17-13-11(21)10(20)9(19)8(5-18)24-13/h1-4,8-11,13,18-21H,5,15H2,(H2,16,17,22,23)/t8-,9-,10+,11-,13-/m1/s1
InChIKeyPVSVRIIRRQSFIR-BZNQNGANSA-N
XLogP-2.49
TPSA174.37 Ų
H-Bond Donors7
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.32
LogP ≤ 5-2.49
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-amino-N-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamoyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-Benzoyl-N'-Beta-D-Glucopyranosyl Urea
CID 446600
N-[(4-Tert-Butylbenzoyl)carbamoyl]-Beta-D-Glucopyranosylamine
CID 72193893
N-(phenylcarbonyl)-beta-D-glucopyranosylamine
CID 11243053
N-{[(4-methylphenyl)carbonyl]carbamoyl}-beta-D-glucopyranosylamine
CID 24851683
1-[4-[[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]phenyl]ethanone
CID 655527
N-[(biphenyl-4-ylcarbonyl)carbamoyl]-beta-D-glucopyranosylamine
CID 24851684
N-{[(4-Nitrophenyl)carbonyl]carbamoyl}-Beta-D-Glucopyranosylamine
CID 24856351
N-{[4-(Trifluoromethyl)benzoyl]carbamoyl}-Beta-D-Glucopyranosylamine
CID 72193892
1-[4-(3,4,5-Trihydroxy-6-methyl-tetrahydro-pyran-2-ylamino)-phenyl]-ethanone
CID 651901
4-nitro-N-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]benzamide
CID 168277529
N-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl]-4-nitro-benzamide
CID 54243685
Acetophenone, 4'-(beta-D-glucopyranosylamino)-
CID 25383

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamoyl]benzamide?
The IUPAC name of 4-amino-N-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamoyl]benzamide (CID 24856352) is 4-amino-N-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamoyl]benzamide.
What is the SMILES notation for 4-amino-N-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamoyl]benzamide?
The canonical SMILES for 4-amino-N-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamoyl]benzamide is Nc1ccc(C(=O)NC(=O)N[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1.
What is the InChIKey of 4-amino-N-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamoyl]benzamide?
The InChIKey is PVSVRIIRRQSFIR-BZNQNGANSA-N. The full InChI is InChI=1S/C14H19N3O7/c15-7-3-1-6(2-4-7)12(22)16-14(23)17-13-11(21)10(20)9(19)8(5-18)24-13/h1-4,8-11,13,18-21H,5,15H2,(H2,16,17,22,23)/t8-,9-,10+,11-,13-/m1/s1.
What are the key properties of 4-amino-N-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamoyl]benzamide?
4-amino-N-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamoyl]benzamide has a molecular weight of 341.32 g/mol, XLogP of -2.49, 3 rotatable bonds, 7 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamoyl]benzamide is sourced from PubChem (CID 24856352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).