benzyl N-[2-(hydroxycarbamoyl)-3,4-dihydro-2H-chromen-8-yl]carbamate

C18H18N2O5 — CID 163392661

IUPACbenzyl N-[2-(hydroxycarbamoyl)-3,4-dihydro-2H-chromen-8-yl]carbamate
SMILESO=C(Nc1cccc2c1OC(C(=O)NO)CC2)OCc1ccccc1
InChIInChI=1S/C18H18N2O5/c21-17(20-23)15-10-9-13-7-4-8-14(16(13)25-15)19-18(22)24-11-12-5-2-1-3-6-12/h1-8,15,23H,9-11H2,(H,19,22)(H,20,21)
InChIKeyQWUVVPFCYBWCFL-UHFFFAOYSA-N
MW342.35 g/mol
LogP2.63
Rot. Bonds4

About benzyl N-[2-(hydroxycarbamoyl)-3,4-dihydro-2H-chromen-8-yl]carbamate

benzyl N-[2-(hydroxycarbamoyl)-3,4-dihydro-2H-chromen-8-yl]carbamate (PubChem CID 163392661) has the molecular formula C18H18N2O5 and a molecular weight of 342.35 g/mol. Its IUPAC name is benzyl N-[2-(hydroxycarbamoyl)-3,4-dihydro-2H-chromen-8-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-(hydroxycarbamoyl)-3,4-dihydro-2H-chromen-8-yl]carbamate
PubChem CID163392661
Molecular FormulaC18H18N2O5
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC Namebenzyl N-[2-(hydroxycarbamoyl)-3,4-dihydro-2H-chromen-8-yl]carbamate
SMILESO=C(Nc1cccc2c1OC(C(=O)NO)CC2)OCc1ccccc1
InChIInChI=1S/C18H18N2O5/c21-17(20-23)15-10-9-13-7-4-8-14(16(13)25-15)19-18(22)24-11-12-5-2-1-3-6-12/h1-8,15,23H,9-11H2,(H,19,22)(H,20,21)
InChIKeyQWUVVPFCYBWCFL-UHFFFAOYSA-N
XLogP2.63
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze benzyl N-[2-(hydroxycarbamoyl)-3,4-dihydro-2H-chromen-8-yl]carbamate 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

(2-chlorophenyl)methyl N-[(2S)-2-(hydroxycarbamoyl)-3,4-dihydro-2H-chromen-8-yl]carbamate
CID 163392706
benzyl N-(5,6,7,8-tetrahydronaphthalen-1-yl)carbamate
CID 91450815
benzyl N-(2-bromophenyl)carbamate
CID 4935706
benzyl N-[2-(1-aminocyclopropyl)phenyl]carbamate
CID 141316548
benzyl N-(2-iodophenyl)carbamate
CID 10959121
benzyl N-[2-(2-aminophenyl)phenyl]carbamate
CID 68787776
benzyl N-(2-fluoro-3-hydroxyphenyl)carbamate
CID 125116618
3-[2-hydroxy-3-(phenylmethoxycarbonylamino)phenyl]propanoic acid
CID 54120837
benzyl N-(2-oxatricyclo[7.3.1.05,13]trideca-1(12),9(13),10-trien-6-yl)carbamate
CID 165145770
benzyl N-(7-methyl-2,3-dihydro-1H-inden-1-yl)carbamate
CID 167740174
benzyl N-(1-oxaspiro[2.5]octan-6-yl)carbamate
CID 15932630
benzyl N-(4H-pyran-3-yl)carbamate
CID 141089932

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-(hydroxycarbamoyl)-3,4-dihydro-2H-chromen-8-yl]carbamate?
The IUPAC name of benzyl N-[2-(hydroxycarbamoyl)-3,4-dihydro-2H-chromen-8-yl]carbamate (CID 163392661) is benzyl N-[2-(hydroxycarbamoyl)-3,4-dihydro-2H-chromen-8-yl]carbamate.
What is the SMILES notation for benzyl N-[2-(hydroxycarbamoyl)-3,4-dihydro-2H-chromen-8-yl]carbamate?
The canonical SMILES for benzyl N-[2-(hydroxycarbamoyl)-3,4-dihydro-2H-chromen-8-yl]carbamate is O=C(Nc1cccc2c1OC(C(=O)NO)CC2)OCc1ccccc1.
What is the InChIKey of benzyl N-[2-(hydroxycarbamoyl)-3,4-dihydro-2H-chromen-8-yl]carbamate?
The InChIKey is QWUVVPFCYBWCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5/c21-17(20-23)15-10-9-13-7-4-8-14(16(13)25-15)19-18(22)24-11-12-5-2-1-3-6-12/h1-8,15,23H,9-11H2,(H,19,22)(H,20,21).
What are the key properties of benzyl N-[2-(hydroxycarbamoyl)-3,4-dihydro-2H-chromen-8-yl]carbamate?
benzyl N-[2-(hydroxycarbamoyl)-3,4-dihydro-2H-chromen-8-yl]carbamate has a molecular weight of 342.35 g/mol, XLogP of 2.63, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-(hydroxycarbamoyl)-3,4-dihydro-2H-chromen-8-yl]carbamate is sourced from PubChem (CID 163392661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).