N-[3-[4-(hydrazinecarbonyl)phenyl]-2,3-dihydroxypropyl]acetamide

C12H17N3O4 — CID 170830453

IUPACN-[3-[4-(hydrazinecarbonyl)phenyl]-2,3-dihydroxypropyl]acetamide
SMILESCC(=O)NCC(O)C(O)c1ccc(C(=O)NN)cc1
InChIInChI=1S/C12H17N3O4/c1-7(16)14-6-10(17)11(18)8-2-4-9(5-3-8)12(19)15-13/h2-5,10-11,17-18H,6,13H2,1H3,(H,14,16)(H,15,19)
InChIKeySIASFRVTOGFRIE-UHFFFAOYSA-N
MW267.29 g/mol
LogP-1.18
Rot. Bonds5

About N-[3-[4-(hydrazinecarbonyl)phenyl]-2,3-dihydroxypropyl]acetamide

N-[3-[4-(hydrazinecarbonyl)phenyl]-2,3-dihydroxypropyl]acetamide (PubChem CID 170830453) has the molecular formula C12H17N3O4 and a molecular weight of 267.29 g/mol. Its IUPAC name is N-[3-[4-(hydrazinecarbonyl)phenyl]-2,3-dihydroxypropyl]acetamide.

Molecular Properties

Compound NameN-[3-[4-(hydrazinecarbonyl)phenyl]-2,3-dihydroxypropyl]acetamide
PubChem CID170830453
Molecular FormulaC12H17N3O4
Molecular Weight267.29 g/mol
Exact Mass267.12
IUPAC NameN-[3-[4-(hydrazinecarbonyl)phenyl]-2,3-dihydroxypropyl]acetamide
SMILESCC(=O)NCC(O)C(O)c1ccc(C(=O)NN)cc1
InChIInChI=1S/C12H17N3O4/c1-7(16)14-6-10(17)11(18)8-2-4-9(5-3-8)12(19)15-13/h2-5,10-11,17-18H,6,13H2,1H3,(H,14,16)(H,15,19)
InChIKeySIASFRVTOGFRIE-UHFFFAOYSA-N
XLogP-1.18
TPSA124.68 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 5-1.18
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(3-acetamido-1,2-dihydroxypropyl)benzoic acid
CID 170829918
N-[3-(4-aminophenyl)-2,3-dihydroxypropyl]acetamide
CID 170829554
N-[3-(4-chlorophenyl)-2,3-dihydroxypropyl]acetamide
CID 170829480
benzyl N-[3-[4-(hydrazinecarbonyl)phenyl]-2,3-dihydroxypropyl]carbamate
CID 171856317
[4-(3-acetamido-1,2-dihydroxypropyl)phenyl] acetate
CID 170831378
4-(4-acetamido-1,2-dihydroxybutyl)-N-methylbenzamide
CID 171883542
N-[3-(4-benzylphenyl)-2,3-dihydroxypropyl]acetamide
CID 170831226
N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,3-dihydroxypropyl]acetamide
CID 170829578
1-[4-(3-acetamido-1,2-dihydroxypropyl)phenyl]cyclopropane-1-carboxylic acid
CID 170830862
ethyl 2-[4-(3-acetamido-1,2-dihydroxypropyl)phenyl]acetate
CID 170830919
N-[3-(3-fluoro-4-hydrazinylphenyl)-2,3-dihydroxypropyl]acetamide
CID 170830022
N-[3-(3-acetyl-4-aminophenyl)-2,3-dihydroxypropyl]acetamide
CID 170830543

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(hydrazinecarbonyl)phenyl]-2,3-dihydroxypropyl]acetamide?
The IUPAC name of N-[3-[4-(hydrazinecarbonyl)phenyl]-2,3-dihydroxypropyl]acetamide (CID 170830453) is N-[3-[4-(hydrazinecarbonyl)phenyl]-2,3-dihydroxypropyl]acetamide.
What is the SMILES notation for N-[3-[4-(hydrazinecarbonyl)phenyl]-2,3-dihydroxypropyl]acetamide?
The canonical SMILES for N-[3-[4-(hydrazinecarbonyl)phenyl]-2,3-dihydroxypropyl]acetamide is CC(=O)NCC(O)C(O)c1ccc(C(=O)NN)cc1.
What is the InChIKey of N-[3-[4-(hydrazinecarbonyl)phenyl]-2,3-dihydroxypropyl]acetamide?
The InChIKey is SIASFRVTOGFRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-7(16)14-6-10(17)11(18)8-2-4-9(5-3-8)12(19)15-13/h2-5,10-11,17-18H,6,13H2,1H3,(H,14,16)(H,15,19).
What are the key properties of N-[3-[4-(hydrazinecarbonyl)phenyl]-2,3-dihydroxypropyl]acetamide?
N-[3-[4-(hydrazinecarbonyl)phenyl]-2,3-dihydroxypropyl]acetamide has a molecular weight of 267.29 g/mol, XLogP of -1.18, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(hydrazinecarbonyl)phenyl]-2,3-dihydroxypropyl]acetamide is sourced from PubChem (CID 170830453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).