benzyl N-[4-[4-(hydrazinecarbonyl)phenyl]-3,4-dihydroxybutyl]carbamate

C19H23N3O5 — CID 171888820

IUPACbenzyl N-[4-[4-(hydrazinecarbonyl)phenyl]-3,4-dihydroxybutyl]carbamate
SMILESNNC(=O)c1ccc(C(O)C(O)CCNC(=O)OCc2ccccc2)cc1
InChIInChI=1S/C19H23N3O5/c20-22-18(25)15-8-6-14(7-9-15)17(24)16(23)10-11-21-19(26)27-12-13-4-2-1-3-5-13/h1-9,16-17,23-24H,10-12,20H2,(H,21,26)(H,22,25)
InChIKeyGZAGUKVYTJPLAZ-UHFFFAOYSA-N
MW373.41 g/mol
LogP1.00
Rot. Bonds8

About benzyl N-[4-[4-(hydrazinecarbonyl)phenyl]-3,4-dihydroxybutyl]carbamate

benzyl N-[4-[4-(hydrazinecarbonyl)phenyl]-3,4-dihydroxybutyl]carbamate (PubChem CID 171888820) has the molecular formula C19H23N3O5 and a molecular weight of 373.41 g/mol. Its IUPAC name is benzyl N-[4-[4-(hydrazinecarbonyl)phenyl]-3,4-dihydroxybutyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[4-[4-(hydrazinecarbonyl)phenyl]-3,4-dihydroxybutyl]carbamate
PubChem CID171888820
Molecular FormulaC19H23N3O5
Molecular Weight373.41 g/mol
Exact Mass373.16
IUPAC Namebenzyl N-[4-[4-(hydrazinecarbonyl)phenyl]-3,4-dihydroxybutyl]carbamate
SMILESNNC(=O)c1ccc(C(O)C(O)CCNC(=O)OCc2ccccc2)cc1
InChIInChI=1S/C19H23N3O5/c20-22-18(25)15-8-6-14(7-9-15)17(24)16(23)10-11-21-19(26)27-12-13-4-2-1-3-5-13/h1-9,16-17,23-24H,10-12,20H2,(H,21,26)(H,22,25)
InChIKeyGZAGUKVYTJPLAZ-UHFFFAOYSA-N
XLogP1.00
TPSA133.91 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 51.00
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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

benzyl N-[3,4-dihydroxy-4-[4-(methylcarbamoyl)phenyl]butyl]carbamate
CID 171888918
benzyl N-[3-[4-(hydrazinecarbonyl)phenyl]-2,3-dihydroxypropyl]carbamate
CID 171856317
benzyl N-[3,4-dihydroxy-4-[4-(2-methylpropanoyl)phenyl]butyl]carbamate
CID 171889018
benzyl N-[4-(4-cyanophenyl)-3,4-dihydroxybutyl]carbamate
CID 171888151
benzyl N-(3,4-dihydroxy-4-pyrimidin-5-ylbutyl)carbamate
CID 171887825
benzyl N-[4-(4-butylphenyl)-3,4-dihydroxybutyl]carbamate
CID 171888676
benzyl N-[4-(2-fluoropyrimidin-5-yl)-3,4-dihydroxybutyl]carbamate
CID 171887865
benzyl N-[4-(1,3-dioxo-2-benzofuran-5-yl)-3,4-dihydroxybutyl]carbamate
CID 171889172
benzyl N-[4-(3-bromo-4-methylphenyl)-3,4-dihydroxybutyl]carbamate
CID 171889497
benzyl N-[4-(3-chloro-4-methylphenyl)-3,4-dihydroxybutyl]carbamate
CID 171887966
5-[1,2-dihydroxy-4-(phenylmethoxycarbonylamino)butyl]pyridine-2-carboxylic acid
CID 171888514
benzyl N-[4-(3-cyano-4-hydroxyphenyl)-3,4-dihydroxybutyl]carbamate
CID 171888535

Frequently Asked Questions

What is the IUPAC name of benzyl N-[4-[4-(hydrazinecarbonyl)phenyl]-3,4-dihydroxybutyl]carbamate?
The IUPAC name of benzyl N-[4-[4-(hydrazinecarbonyl)phenyl]-3,4-dihydroxybutyl]carbamate (CID 171888820) is benzyl N-[4-[4-(hydrazinecarbonyl)phenyl]-3,4-dihydroxybutyl]carbamate.
What is the SMILES notation for benzyl N-[4-[4-(hydrazinecarbonyl)phenyl]-3,4-dihydroxybutyl]carbamate?
The canonical SMILES for benzyl N-[4-[4-(hydrazinecarbonyl)phenyl]-3,4-dihydroxybutyl]carbamate is NNC(=O)c1ccc(C(O)C(O)CCNC(=O)OCc2ccccc2)cc1.
What is the InChIKey of benzyl N-[4-[4-(hydrazinecarbonyl)phenyl]-3,4-dihydroxybutyl]carbamate?
The InChIKey is GZAGUKVYTJPLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5/c20-22-18(25)15-8-6-14(7-9-15)17(24)16(23)10-11-21-19(26)27-12-13-4-2-1-3-5-13/h1-9,16-17,23-24H,10-12,20H2,(H,21,26)(H,22,25).
What are the key properties of benzyl N-[4-[4-(hydrazinecarbonyl)phenyl]-3,4-dihydroxybutyl]carbamate?
benzyl N-[4-[4-(hydrazinecarbonyl)phenyl]-3,4-dihydroxybutyl]carbamate has a molecular weight of 373.41 g/mol, XLogP of 1.00, 8 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[4-[4-(hydrazinecarbonyl)phenyl]-3,4-dihydroxybutyl]carbamate is sourced from PubChem (CID 171888820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).