tert-butyl N-[3-[(2-methoxyphenyl)methylamino]cyclopentyl]carbamate

C18H28N2O3 — CID 103719601

IUPACtert-butyl N-[3-[(2-methoxyphenyl)methylamino]cyclopentyl]carbamate
SMILESCOc1ccccc1CNC1CCC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C18H28N2O3/c1-18(2,3)23-17(21)20-15-10-9-14(11-15)19-12-13-7-5-6-8-16(13)22-4/h5-8,14-15,19H,9-12H2,1-4H3,(H,20,21)
InChIKeyFXPAXEKCAOYCCX-UHFFFAOYSA-N
MW320.43 g/mol
LogP3.23
Rot. Bonds5

About tert-butyl N-[3-[(2-methoxyphenyl)methylamino]cyclopentyl]carbamate

tert-butyl N-[3-[(2-methoxyphenyl)methylamino]cyclopentyl]carbamate (PubChem CID 103719601) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is tert-butyl N-[3-[(2-methoxyphenyl)methylamino]cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(2-methoxyphenyl)methylamino]cyclopentyl]carbamate
PubChem CID103719601
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Nametert-butyl N-[3-[(2-methoxyphenyl)methylamino]cyclopentyl]carbamate
SMILESCOc1ccccc1CNC1CCC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C18H28N2O3/c1-18(2,3)23-17(21)20-15-10-9-14(11-15)19-12-13-7-5-6-8-16(13)22-4/h5-8,14-15,19H,9-12H2,1-4H3,(H,20,21)
InChIKeyFXPAXEKCAOYCCX-UHFFFAOYSA-N
XLogP3.23
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[3-[(3-bromo-2-hydroxyphenyl)methylamino]cyclobutyl]carbamate
CID 107239083
tert-butyl N-[3-[(2-methoxy-3-pyridinyl)methylamino]cyclobutyl]carbamate
CID 103759532
tert-butyl N-[[2-[(cyclopropylamino)methyl]phenyl]methyl]carbamate
CID 107248664
tert-butyl N-[(2-methoxyphenyl)methyl]carbamate;hydrochloride
CID 174676513
tert-butyl N-[3-(2,3-dihydro-1H-inden-2-ylamino)cyclopentyl]carbamate
CID 107849928
tert-butyl N-[(1R,3S)-3-(2-methoxyphenyl)cyclohexyl]carbamate
CID 139378064
3-ethyl-N-[(2-methoxyphenyl)methyl]cyclopentan-1-amine
CID 64500368
tert-butyl N-[3-[[4-(methylcarbamoyl)phenyl]methylamino]cyclopentyl]carbamate
CID 113247798
tert-butyl N-[3-(1,2-oxazol-5-ylmethylamino)cyclopentyl]carbamate
CID 106415109
tert-butyl N-[3-(1H-pyrazol-5-ylmethylamino)cyclopentyl]carbamate
CID 79462025
tert-butyl N-[4-[(2,4,5-trimethylphenyl)methylamino]cyclohexyl]carbamate
CID 113240121
tert-butyl N-[3-(5-chloro-2-methoxyanilino)cyclopentyl]carbamate
CID 103719625

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(2-methoxyphenyl)methylamino]cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[3-[(2-methoxyphenyl)methylamino]cyclopentyl]carbamate (CID 103719601) is tert-butyl N-[3-[(2-methoxyphenyl)methylamino]cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[(2-methoxyphenyl)methylamino]cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[(2-methoxyphenyl)methylamino]cyclopentyl]carbamate is COc1ccccc1CNC1CCC(NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[3-[(2-methoxyphenyl)methylamino]cyclopentyl]carbamate?
The InChIKey is FXPAXEKCAOYCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-18(2,3)23-17(21)20-15-10-9-14(11-15)19-12-13-7-5-6-8-16(13)22-4/h5-8,14-15,19H,9-12H2,1-4H3,(H,20,21).
What are the key properties of tert-butyl N-[3-[(2-methoxyphenyl)methylamino]cyclopentyl]carbamate?
tert-butyl N-[3-[(2-methoxyphenyl)methylamino]cyclopentyl]carbamate has a molecular weight of 320.43 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[(2-methoxyphenyl)methylamino]cyclopentyl]carbamate is sourced from PubChem (CID 103719601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).