benzyl N-[3-(2-methoxyanilino)cyclobutyl]carbamate

C19H22N2O3 — CID 103392742

IUPACbenzyl N-[3-(2-methoxyanilino)cyclobutyl]carbamate
SMILESCOc1ccccc1NC1CC(NC(=O)OCc2ccccc2)C1
InChIInChI=1S/C19H22N2O3/c1-23-18-10-6-5-9-17(18)20-15-11-16(12-15)21-19(22)24-13-14-7-3-2-4-8-14/h2-10,15-16,20H,11-13H2,1H3,(H,21,22)
InChIKeyKFALVVQQKLXNTK-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.56
Rot. Bonds6

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

benzyl N-[3-(2-methoxyanilino)cyclobutyl]carbamate (PubChem CID 103392742) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is benzyl N-[3-(2-methoxyanilino)cyclobutyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-(2-methoxyanilino)cyclobutyl]carbamate
PubChem CID103392742
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Namebenzyl N-[3-(2-methoxyanilino)cyclobutyl]carbamate
SMILESCOc1ccccc1NC1CC(NC(=O)OCc2ccccc2)C1
InChIInChI=1S/C19H22N2O3/c1-23-18-10-6-5-9-17(18)20-15-11-16(12-15)21-19(22)24-13-14-7-3-2-4-8-14/h2-10,15-16,20H,11-13H2,1H3,(H,21,22)
InChIKeyKFALVVQQKLXNTK-UHFFFAOYSA-N
XLogP3.56
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[3-(2,5-dimethoxyanilino)cyclobutyl]carbamate
CID 103392778
benzyl N-[3-(5-chloro-2-methoxyanilino)cyclobutyl]carbamate
CID 103392787
benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
benzyl N-[3-(2-cyano-6-methoxyanilino)cyclobutyl]carbamate
CID 107466968
benzyl N-[3-(3-bromo-4-methoxyanilino)cyclobutyl]carbamate
CID 103393510
benzyl N-[3-(4-fluoro-2-methylanilino)cyclobutyl]carbamate
CID 103392833
benzyl N-[3-(3-hydroxy-2,4-dimethylanilino)cyclobutyl]carbamate
CID 103393149
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
methyl (2S)-2-[[3-(phenylmethoxycarbonylamino)cyclobutyl]amino]propanoate
CID 103393109
benzyl N-[3-[(6-chloro-2-pyridinyl)amino]cyclobutyl]carbamate
CID 103393660

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-(2-methoxyanilino)cyclobutyl]carbamate?
The IUPAC name of benzyl N-[3-(2-methoxyanilino)cyclobutyl]carbamate (CID 103392742) is benzyl N-[3-(2-methoxyanilino)cyclobutyl]carbamate.
What is the SMILES notation for benzyl N-[3-(2-methoxyanilino)cyclobutyl]carbamate?
The canonical SMILES for benzyl N-[3-(2-methoxyanilino)cyclobutyl]carbamate is COc1ccccc1NC1CC(NC(=O)OCc2ccccc2)C1.
What is the InChIKey of benzyl N-[3-(2-methoxyanilino)cyclobutyl]carbamate?
The InChIKey is KFALVVQQKLXNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-23-18-10-6-5-9-17(18)20-15-11-16(12-15)21-19(22)24-13-14-7-3-2-4-8-14/h2-10,15-16,20H,11-13H2,1H3,(H,21,22).
What are the key properties of benzyl N-[3-(2-methoxyanilino)cyclobutyl]carbamate?
benzyl N-[3-(2-methoxyanilino)cyclobutyl]carbamate has a molecular weight of 326.40 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-(2-methoxyanilino)cyclobutyl]carbamate is sourced from PubChem (CID 103392742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).