benzyl N-[3-[(2-hydroxyphenyl)methylamino]cyclobutyl]carbamate

C19H22N2O3 — CID 103393812

IUPACbenzyl N-[3-[(2-hydroxyphenyl)methylamino]cyclobutyl]carbamate
SMILESO=C(NC1CC(NCc2ccccc2O)C1)OCc1ccccc1
InChIInChI=1S/C19H22N2O3/c22-18-9-5-4-8-15(18)12-20-16-10-17(11-16)21-19(23)24-13-14-6-2-1-3-7-14/h1-9,16-17,20,22H,10-13H2,(H,21,23)
InChIKeyFDXVHLIPXONXAK-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.94
Rot. Bonds6

About benzyl N-[3-[(2-hydroxyphenyl)methylamino]cyclobutyl]carbamate

benzyl N-[3-[(2-hydroxyphenyl)methylamino]cyclobutyl]carbamate (PubChem CID 103393812) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is benzyl N-[3-[(2-hydroxyphenyl)methylamino]cyclobutyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-[(2-hydroxyphenyl)methylamino]cyclobutyl]carbamate
PubChem CID103393812
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Namebenzyl N-[3-[(2-hydroxyphenyl)methylamino]cyclobutyl]carbamate
SMILESO=C(NC1CC(NCc2ccccc2O)C1)OCc1ccccc1
InChIInChI=1S/C19H22N2O3/c22-18-9-5-4-8-15(18)12-20-16-10-17(11-16)21-19(23)24-13-14-6-2-1-3-7-14/h1-9,16-17,20,22H,10-13H2,(H,21,23)
InChIKeyFDXVHLIPXONXAK-UHFFFAOYSA-N
XLogP2.94
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
benzyl N-[3-[(5-chlorothiophen-2-yl)methylamino]cyclobutyl]carbamate
CID 103393456
benzyl N-[3-[(3-fluorophenyl)methylamino]cyclobutyl]carbamate
CID 103392944
benzyl N-[3-[(3-amino-3-oxopropyl)amino]cyclobutyl]carbamate
CID 103392992
benzyl N-[3-[(4-propan-2-ylphenyl)methylamino]cyclobutyl]carbamate
CID 103393345
benzyl N-[3-[[4-(dimethylamino)phenyl]methylamino]cyclobutyl]carbamate
CID 103392905
benzyl N-[3-[(5-bromothiophen-2-yl)methylamino]cyclobutyl]carbamate
CID 103393251
benzyl N-[3-(3-sulfamoylpropylamino)cyclobutyl]carbamate
CID 103393346
benzyl N-(3-iodocyclobutyl)carbamate
CID 177035256
benzyl N-(3-aminocyclobutyl)carbamate;hydrochloride
CID 122164408
benzyl N-[3-(1H-imidazol-5-ylmethylamino)cyclobutyl]carbamate
CID 103393516
benzyl N-[3-[(3-hydroxy-2-methylpropyl)amino]cyclobutyl]carbamate
CID 103393487

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-[(2-hydroxyphenyl)methylamino]cyclobutyl]carbamate?
The IUPAC name of benzyl N-[3-[(2-hydroxyphenyl)methylamino]cyclobutyl]carbamate (CID 103393812) is benzyl N-[3-[(2-hydroxyphenyl)methylamino]cyclobutyl]carbamate.
What is the SMILES notation for benzyl N-[3-[(2-hydroxyphenyl)methylamino]cyclobutyl]carbamate?
The canonical SMILES for benzyl N-[3-[(2-hydroxyphenyl)methylamino]cyclobutyl]carbamate is O=C(NC1CC(NCc2ccccc2O)C1)OCc1ccccc1.
What is the InChIKey of benzyl N-[3-[(2-hydroxyphenyl)methylamino]cyclobutyl]carbamate?
The InChIKey is FDXVHLIPXONXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c22-18-9-5-4-8-15(18)12-20-16-10-17(11-16)21-19(23)24-13-14-6-2-1-3-7-14/h1-9,16-17,20,22H,10-13H2,(H,21,23).
What are the key properties of benzyl N-[3-[(2-hydroxyphenyl)methylamino]cyclobutyl]carbamate?
benzyl N-[3-[(2-hydroxyphenyl)methylamino]cyclobutyl]carbamate has a molecular weight of 326.40 g/mol, XLogP of 2.94, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-[(2-hydroxyphenyl)methylamino]cyclobutyl]carbamate is sourced from PubChem (CID 103393812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).