tert-butyl N-[3-[[[dimethoxy(phenyl)methyl]amino]methyl]cyclopentyl]carbamate

C20H32N2O4 — CID 69148440

IUPACtert-butyl N-[3-[[[dimethoxy(phenyl)methyl]amino]methyl]cyclopentyl]carbamate
SMILESCOC(NCC1CCC(NC(=O)OC(C)(C)C)C1)(OC)c1ccccc1
InChIInChI=1S/C20H32N2O4/c1-19(2,3)26-18(23)22-17-12-11-15(13-17)14-21-20(24-4,25-5)16-9-7-6-8-10-16/h6-10,15,17,21H,11-14H2,1-5H3,(H,22,23)
InChIKeyKILHFUWPIJSTEM-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.37
Rot. Bonds7

About tert-butyl N-[3-[[[dimethoxy(phenyl)methyl]amino]methyl]cyclopentyl]carbamate

tert-butyl N-[3-[[[dimethoxy(phenyl)methyl]amino]methyl]cyclopentyl]carbamate (PubChem CID 69148440) has the molecular formula C20H32N2O4 and a molecular weight of 364.49 g/mol. Its IUPAC name is tert-butyl N-[3-[[[dimethoxy(phenyl)methyl]amino]methyl]cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[[[dimethoxy(phenyl)methyl]amino]methyl]cyclopentyl]carbamate
PubChem CID69148440
Molecular FormulaC20H32N2O4
Molecular Weight364.49 g/mol
Exact Mass364.24
IUPAC Nametert-butyl N-[3-[[[dimethoxy(phenyl)methyl]amino]methyl]cyclopentyl]carbamate
SMILESCOC(NCC1CCC(NC(=O)OC(C)(C)C)C1)(OC)c1ccccc1
InChIInChI=1S/C20H32N2O4/c1-19(2,3)26-18(23)22-17-12-11-15(13-17)14-21-20(24-4,25-5)16-9-7-6-8-10-16/h6-10,15,17,21H,11-14H2,1-5H3,(H,22,23)
InChIKeyKILHFUWPIJSTEM-UHFFFAOYSA-N
XLogP3.37
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(1R,3S)-3-(benzenesulfonylmethyl)cyclopentyl]carbamate
CID 21109996
benzyl N-[(1R,3S)-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentyl]carbamate
CID 20729715
tert-butyl N-[4-[[(2-phenylcyclopropyl)amino]methyl]cyclohexyl]carbamate
CID 77144961
tert-butyl N-[(1R,3S)-3-[[(4-methylsulfonylphenyl)sulfonylamino]methyl]cyclopentyl]carbamate
CID 11661983
tert-butyl N-[(1S)-3-aminocyclopentyl]carbamate
CID 129185983
tert-butyl N-[3-(2,3-dihydro-1H-inden-2-ylamino)cyclopentyl]carbamate
CID 107849928
tert-butyl N-[3-(1-phenylpropylamino)cyclopentyl]carbamate
CID 103719879
tert-butyl N-[3-[[(1R)-2-hydroxy-1-phenylethyl]amino]cyclopentyl]carbamate
CID 107862557
tert-butyl N-(3-aminocyclopentyl)carbamate;hydrochloride
CID 45156792
2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]ethyl acetate
CID 175325980
tert-butyl N-[3-(2-oxobutyl)cyclopentyl]carbamate
CID 165465288
tert-butyl N-[3-[2-(dimethylamino)ethyl]cyclopentyl]carbamate
CID 163374886

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[[[dimethoxy(phenyl)methyl]amino]methyl]cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[3-[[[dimethoxy(phenyl)methyl]amino]methyl]cyclopentyl]carbamate (CID 69148440) is tert-butyl N-[3-[[[dimethoxy(phenyl)methyl]amino]methyl]cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[[[dimethoxy(phenyl)methyl]amino]methyl]cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[[[dimethoxy(phenyl)methyl]amino]methyl]cyclopentyl]carbamate is COC(NCC1CCC(NC(=O)OC(C)(C)C)C1)(OC)c1ccccc1.
What is the InChIKey of tert-butyl N-[3-[[[dimethoxy(phenyl)methyl]amino]methyl]cyclopentyl]carbamate?
The InChIKey is KILHFUWPIJSTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O4/c1-19(2,3)26-18(23)22-17-12-11-15(13-17)14-21-20(24-4,25-5)16-9-7-6-8-10-16/h6-10,15,17,21H,11-14H2,1-5H3,(H,22,23).
What are the key properties of tert-butyl N-[3-[[[dimethoxy(phenyl)methyl]amino]methyl]cyclopentyl]carbamate?
tert-butyl N-[3-[[[dimethoxy(phenyl)methyl]amino]methyl]cyclopentyl]carbamate has a molecular weight of 364.49 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[[[dimethoxy(phenyl)methyl]amino]methyl]cyclopentyl]carbamate is sourced from PubChem (CID 69148440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).