benzyl N-[3-(2,3-dihydro-1H-inden-2-ylamino)cyclobutyl]carbamate

C21H24N2O2 — CID 107850007

IUPACbenzyl N-[3-(2,3-dihydro-1H-inden-2-ylamino)cyclobutyl]carbamate
SMILESO=C(NC1CC(NC2Cc3ccccc3C2)C1)OCc1ccccc1
InChIInChI=1S/C21H24N2O2/c24-21(25-14-15-6-2-1-3-7-15)23-20-12-19(13-20)22-18-10-16-8-4-5-9-17(16)11-18/h1-9,18-20,22H,10-14H2,(H,23,24)
InChIKeyARGFNYNPUHLAAV-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.20
Rot. Bonds5

About benzyl N-[3-(2,3-dihydro-1H-inden-2-ylamino)cyclobutyl]carbamate

benzyl N-[3-(2,3-dihydro-1H-inden-2-ylamino)cyclobutyl]carbamate (PubChem CID 107850007) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is benzyl N-[3-(2,3-dihydro-1H-inden-2-ylamino)cyclobutyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-(2,3-dihydro-1H-inden-2-ylamino)cyclobutyl]carbamate
PubChem CID107850007
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Namebenzyl N-[3-(2,3-dihydro-1H-inden-2-ylamino)cyclobutyl]carbamate
SMILESO=C(NC1CC(NC2Cc3ccccc3C2)C1)OCc1ccccc1
InChIInChI=1S/C21H24N2O2/c24-21(25-14-15-6-2-1-3-7-15)23-20-12-19(13-20)22-18-10-16-8-4-5-9-17(16)11-18/h1-9,18-20,22H,10-14H2,(H,23,24)
InChIKeyARGFNYNPUHLAAV-UHFFFAOYSA-N
XLogP3.20
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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benzyl N-[3-[(2-hydroxyphenyl)methylamino]cyclobutyl]carbamate
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benzyl N-[(1R,2R)-2-(phenylmethoxycarbonylamino)cyclopropyl]carbamate
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benzyl N-[3-(2-methoxyanilino)cyclobutyl]carbamate
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(2S,4S)-4-(phenylmethoxycarbonylamino)oxolane-2-carboxylic acid
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CID 143231679

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-(2,3-dihydro-1H-inden-2-ylamino)cyclobutyl]carbamate?
The IUPAC name of benzyl N-[3-(2,3-dihydro-1H-inden-2-ylamino)cyclobutyl]carbamate (CID 107850007) is benzyl N-[3-(2,3-dihydro-1H-inden-2-ylamino)cyclobutyl]carbamate.
What is the SMILES notation for benzyl N-[3-(2,3-dihydro-1H-inden-2-ylamino)cyclobutyl]carbamate?
The canonical SMILES for benzyl N-[3-(2,3-dihydro-1H-inden-2-ylamino)cyclobutyl]carbamate is O=C(NC1CC(NC2Cc3ccccc3C2)C1)OCc1ccccc1.
What is the InChIKey of benzyl N-[3-(2,3-dihydro-1H-inden-2-ylamino)cyclobutyl]carbamate?
The InChIKey is ARGFNYNPUHLAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c24-21(25-14-15-6-2-1-3-7-15)23-20-12-19(13-20)22-18-10-16-8-4-5-9-17(16)11-18/h1-9,18-20,22H,10-14H2,(H,23,24).
What are the key properties of benzyl N-[3-(2,3-dihydro-1H-inden-2-ylamino)cyclobutyl]carbamate?
benzyl N-[3-(2,3-dihydro-1H-inden-2-ylamino)cyclobutyl]carbamate has a molecular weight of 336.44 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-(2,3-dihydro-1H-inden-2-ylamino)cyclobutyl]carbamate is sourced from PubChem (CID 107850007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).