[3-[(2,4-dimethoxyphenyl)methylamino]cyclobutyl] N-tert-butylcarbamate

C18H28N2O4 — CID 170156478

IUPAC[3-[(2,4-dimethoxyphenyl)methylamino]cyclobutyl] N-tert-butylcarbamate
SMILESCOc1ccc(CNC2CC(OC(=O)NC(C)(C)C)C2)c(OC)c1
InChIInChI=1S/C18H28N2O4/c1-18(2,3)20-17(21)24-15-8-13(9-15)19-11-12-6-7-14(22-4)10-16(12)23-5/h6-7,10,13,15,19H,8-9,11H2,1-5H3,(H,20,21)
InChIKeyOJNCJGLZRCSBJK-UHFFFAOYSA-N
MW336.43 g/mol
LogP2.85
Rot. Bonds6

About [3-[(2,4-dimethoxyphenyl)methylamino]cyclobutyl] N-tert-butylcarbamate

[3-[(2,4-dimethoxyphenyl)methylamino]cyclobutyl] N-tert-butylcarbamate (PubChem CID 170156478) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is [3-[(2,4-dimethoxyphenyl)methylamino]cyclobutyl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[3-[(2,4-dimethoxyphenyl)methylamino]cyclobutyl] N-tert-butylcarbamate
PubChem CID170156478
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC Name[3-[(2,4-dimethoxyphenyl)methylamino]cyclobutyl] N-tert-butylcarbamate
SMILESCOc1ccc(CNC2CC(OC(=O)NC(C)(C)C)C2)c(OC)c1
InChIInChI=1S/C18H28N2O4/c1-18(2,3)20-17(21)24-15-8-13(9-15)19-11-12-6-7-14(22-4)10-16(12)23-5/h6-7,10,13,15,19H,8-9,11H2,1-5H3,(H,20,21)
InChIKeyOJNCJGLZRCSBJK-UHFFFAOYSA-N
XLogP2.85
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-5-methylthiolan-3-amine
CID 79949733
N-[(2,4-dimethoxyphenyl)methyl]cyclododecanamine;hydrochloride
CID 21435442
tert-butyl N-[1-[(2,4-dimethoxyphenyl)methylamino]-2-methyl-1-oxopropan-2-yl]carbamate
CID 130363598
N-[(2,4-dimethoxyphenyl)methyl]-3-ethylcyclopentan-1-amine
CID 64500923
N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxyaniline
CID 39427088
(2,4-dimethoxyphenyl)methylurea
CID 53362457
N-[(2,4-dimethoxyphenyl)methyl]-1,1-dioxothiolan-3-amine
CID 43177543
N-cyclopentyl-2-(2,4-dimethoxyphenyl)acetamide
CID 17474203
N-[(2,4-dimethoxyphenyl)methyl]cyclopropanecarboxamide
CID 47161024
2-(cyclopentylamino)-N-[(2,4-dimethoxyphenyl)methyl]acetamide
CID 63362881
2-[(2,4-dimethoxyphenyl)methylamino]cyclohexan-1-ol
CID 62365081
tert-butyl N-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]carbamate
CID 103641097

Frequently Asked Questions

What is the IUPAC name of [3-[(2,4-dimethoxyphenyl)methylamino]cyclobutyl] N-tert-butylcarbamate?
The IUPAC name of [3-[(2,4-dimethoxyphenyl)methylamino]cyclobutyl] N-tert-butylcarbamate (CID 170156478) is [3-[(2,4-dimethoxyphenyl)methylamino]cyclobutyl] N-tert-butylcarbamate.
What is the SMILES notation for [3-[(2,4-dimethoxyphenyl)methylamino]cyclobutyl] N-tert-butylcarbamate?
The canonical SMILES for [3-[(2,4-dimethoxyphenyl)methylamino]cyclobutyl] N-tert-butylcarbamate is COc1ccc(CNC2CC(OC(=O)NC(C)(C)C)C2)c(OC)c1.
What is the InChIKey of [3-[(2,4-dimethoxyphenyl)methylamino]cyclobutyl] N-tert-butylcarbamate?
The InChIKey is OJNCJGLZRCSBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-18(2,3)20-17(21)24-15-8-13(9-15)19-11-12-6-7-14(22-4)10-16(12)23-5/h6-7,10,13,15,19H,8-9,11H2,1-5H3,(H,20,21).
What are the key properties of [3-[(2,4-dimethoxyphenyl)methylamino]cyclobutyl] N-tert-butylcarbamate?
[3-[(2,4-dimethoxyphenyl)methylamino]cyclobutyl] N-tert-butylcarbamate has a molecular weight of 336.43 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2,4-dimethoxyphenyl)methylamino]cyclobutyl] N-tert-butylcarbamate is sourced from PubChem (CID 170156478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).