benzyl N-[3-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]cyclobutyl]carbamate

C21H26N2O3 — CID 103393607

IUPACbenzyl N-[3-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]cyclobutyl]carbamate
SMILESCOc1cccc([C@@H](C)NC2CC(NC(=O)OCc3ccccc3)C2)c1
InChIInChI=1S/C21H26N2O3/c1-15(17-9-6-10-20(11-17)25-2)22-18-12-19(13-18)23-21(24)26-14-16-7-4-3-5-8-16/h3-11,15,18-19,22H,12-14H2,1-2H3,(H,23,24)/t15-,18?,19?/m1/s1
InChIKeyCADBESBTPPQOOF-VNCLNFNDSA-N
MW354.45 g/mol
LogP3.80
Rot. Bonds7

About benzyl N-[3-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]cyclobutyl]carbamate

benzyl N-[3-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]cyclobutyl]carbamate (PubChem CID 103393607) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is benzyl N-[3-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]cyclobutyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]cyclobutyl]carbamate
PubChem CID103393607
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Namebenzyl N-[3-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]cyclobutyl]carbamate
SMILESCOc1cccc([C@@H](C)NC2CC(NC(=O)OCc3ccccc3)C2)c1
InChIInChI=1S/C21H26N2O3/c1-15(17-9-6-10-20(11-17)25-2)22-18-12-19(13-18)23-21(24)26-14-16-7-4-3-5-8-16/h3-11,15,18-19,22H,12-14H2,1-2H3,(H,23,24)/t15-,18?,19?/m1/s1
InChIKeyCADBESBTPPQOOF-VNCLNFNDSA-N
XLogP3.80
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]cyclobutyl]carbamate
CID 103393591
benzyl N-[3-[1-(4-chlorophenyl)ethylamino]cyclobutyl]carbamate
CID 103392858
methyl (2S)-2-[[3-(phenylmethoxycarbonylamino)cyclobutyl]amino]propanoate
CID 103393109
benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
benzyl N-[3-(1-hydroxypropan-2-ylamino)cyclobutyl]carbamate
CID 103392982
N-[1-(3-methoxyphenyl)ethyl]-3-phenylcyclobutan-1-amine
CID 60945450
benzyl N-[3-(2,5-dimethoxyanilino)cyclobutyl]carbamate
CID 103392778
benzyl N-[3-[(4-hydroxy-3-methylbutan-2-yl)amino]cyclobutyl]carbamate
CID 103393770
benzyl N-[3-[[(1R)-1-cyclohexylethyl]amino]cyclobutyl]carbamate
CID 103393619
benzyl N-[3-(pent-4-en-2-ylamino)cyclobutyl]carbamate
CID 103393753
benzyl N-[3-(1-hydroxybutan-2-ylamino)cyclobutyl]carbamate
CID 103392923
benzyl N-[3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]cyclobutyl]carbamate
CID 103393541

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]cyclobutyl]carbamate?
The IUPAC name of benzyl N-[3-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]cyclobutyl]carbamate (CID 103393607) is benzyl N-[3-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]cyclobutyl]carbamate.
What is the SMILES notation for benzyl N-[3-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]cyclobutyl]carbamate?
The canonical SMILES for benzyl N-[3-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]cyclobutyl]carbamate is COc1cccc([C@@H](C)NC2CC(NC(=O)OCc3ccccc3)C2)c1.
What is the InChIKey of benzyl N-[3-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]cyclobutyl]carbamate?
The InChIKey is CADBESBTPPQOOF-VNCLNFNDSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-15(17-9-6-10-20(11-17)25-2)22-18-12-19(13-18)23-21(24)26-14-16-7-4-3-5-8-16/h3-11,15,18-19,22H,12-14H2,1-2H3,(H,23,24)/t15-,18?,19?/m1/s1.
What are the key properties of benzyl N-[3-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]cyclobutyl]carbamate?
benzyl N-[3-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]cyclobutyl]carbamate has a molecular weight of 354.45 g/mol, XLogP of 3.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]cyclobutyl]carbamate is sourced from PubChem (CID 103393607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).