benzyl N-[3-(3-hydroxy-2,4-dimethylanilino)cyclobutyl]carbamate

C20H24N2O3 — CID 103393149

IUPACbenzyl N-[3-(3-hydroxy-2,4-dimethylanilino)cyclobutyl]carbamate
SMILESCc1ccc(NC2CC(NC(=O)OCc3ccccc3)C2)c(C)c1O
InChIInChI=1S/C20H24N2O3/c1-13-8-9-18(14(2)19(13)23)21-16-10-17(11-16)22-20(24)25-12-15-6-4-3-5-7-15/h3-9,16-17,21,23H,10-12H2,1-2H3,(H,22,24)
InChIKeyNBPOIRZQBRFQHR-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.88
Rot. Bonds5

About benzyl N-[3-(3-hydroxy-2,4-dimethylanilino)cyclobutyl]carbamate

benzyl N-[3-(3-hydroxy-2,4-dimethylanilino)cyclobutyl]carbamate (PubChem CID 103393149) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is benzyl N-[3-(3-hydroxy-2,4-dimethylanilino)cyclobutyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-(3-hydroxy-2,4-dimethylanilino)cyclobutyl]carbamate
PubChem CID103393149
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Namebenzyl N-[3-(3-hydroxy-2,4-dimethylanilino)cyclobutyl]carbamate
SMILESCc1ccc(NC2CC(NC(=O)OCc3ccccc3)C2)c(C)c1O
InChIInChI=1S/C20H24N2O3/c1-13-8-9-18(14(2)19(13)23)21-16-10-17(11-16)22-20(24)25-12-15-6-4-3-5-7-15/h3-9,16-17,21,23H,10-12H2,1-2H3,(H,22,24)
InChIKeyNBPOIRZQBRFQHR-UHFFFAOYSA-N
XLogP3.88
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[3-(4-fluoro-2-methylanilino)cyclobutyl]carbamate
CID 103392833
benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
benzyl N-[3-(2-methoxyanilino)cyclobutyl]carbamate
CID 103392742
benzyl N-[3-(4-methylsulfonylanilino)cyclobutyl]carbamate
CID 103392797
benzyl N-[3-(2-bromo-4,6-dimethylanilino)cyclobutyl]carbamate
CID 103393636
benzyl N-[3-(2,5-dimethoxyanilino)cyclobutyl]carbamate
CID 103392778
benzyl N-[3-(2,3,5-trifluoroanilino)cyclobutyl]carbamate
CID 103393393
benzyl N-[3-[(6-methyl-3-pyridinyl)amino]cyclobutyl]carbamate
CID 103393638
4-fluoro-3-[[3-(phenylmethoxycarbonylamino)cyclobutyl]amino]benzoic acid
CID 103393121
benzyl N-[3-(5-chloro-2-methoxyanilino)cyclobutyl]carbamate
CID 103392787
benzyl N-(3-iodocyclobutyl)carbamate
CID 177035256
benzyl N-(3-aminocyclobutyl)carbamate;hydrochloride
CID 122164408

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-(3-hydroxy-2,4-dimethylanilino)cyclobutyl]carbamate?
The IUPAC name of benzyl N-[3-(3-hydroxy-2,4-dimethylanilino)cyclobutyl]carbamate (CID 103393149) is benzyl N-[3-(3-hydroxy-2,4-dimethylanilino)cyclobutyl]carbamate.
What is the SMILES notation for benzyl N-[3-(3-hydroxy-2,4-dimethylanilino)cyclobutyl]carbamate?
The canonical SMILES for benzyl N-[3-(3-hydroxy-2,4-dimethylanilino)cyclobutyl]carbamate is Cc1ccc(NC2CC(NC(=O)OCc3ccccc3)C2)c(C)c1O.
What is the InChIKey of benzyl N-[3-(3-hydroxy-2,4-dimethylanilino)cyclobutyl]carbamate?
The InChIKey is NBPOIRZQBRFQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-13-8-9-18(14(2)19(13)23)21-16-10-17(11-16)22-20(24)25-12-15-6-4-3-5-7-15/h3-9,16-17,21,23H,10-12H2,1-2H3,(H,22,24).
What are the key properties of benzyl N-[3-(3-hydroxy-2,4-dimethylanilino)cyclobutyl]carbamate?
benzyl N-[3-(3-hydroxy-2,4-dimethylanilino)cyclobutyl]carbamate has a molecular weight of 340.42 g/mol, XLogP of 3.88, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-(3-hydroxy-2,4-dimethylanilino)cyclobutyl]carbamate is sourced from PubChem (CID 103393149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).