tert-butyl N-[2-[3-(diethylaminomethyl)-4-(methoxymethoxy)phenyl]ethyl]carbamate

C20H34N2O4 — CID 166114646

IUPACtert-butyl N-[2-[3-(diethylaminomethyl)-4-(methoxymethoxy)phenyl]ethyl]carbamate
SMILESCCN(CC)Cc1cc(CCNC(=O)OC(C)(C)C)ccc1OCOC
InChIInChI=1S/C20H34N2O4/c1-7-22(8-2)14-17-13-16(9-10-18(17)25-15-24-6)11-12-21-19(23)26-20(3,4)5/h9-10,13H,7-8,11-12,14-15H2,1-6H3,(H,21,23)
InChIKeyHYYAHDRUUPXNBC-UHFFFAOYSA-N
MW366.50 g/mol
LogP3.58
Rot. Bonds10

About tert-butyl N-[2-[3-(diethylaminomethyl)-4-(methoxymethoxy)phenyl]ethyl]carbamate

tert-butyl N-[2-[3-(diethylaminomethyl)-4-(methoxymethoxy)phenyl]ethyl]carbamate (PubChem CID 166114646) has the molecular formula C20H34N2O4 and a molecular weight of 366.50 g/mol. Its IUPAC name is tert-butyl N-[2-[3-(diethylaminomethyl)-4-(methoxymethoxy)phenyl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[3-(diethylaminomethyl)-4-(methoxymethoxy)phenyl]ethyl]carbamate
PubChem CID166114646
Molecular FormulaC20H34N2O4
Molecular Weight366.50 g/mol
Exact Mass366.25
IUPAC Nametert-butyl N-[2-[3-(diethylaminomethyl)-4-(methoxymethoxy)phenyl]ethyl]carbamate
SMILESCCN(CC)Cc1cc(CCNC(=O)OC(C)(C)C)ccc1OCOC
InChIInChI=1S/C20H34N2O4/c1-7-22(8-2)14-17-13-16(9-10-18(17)25-15-24-6)11-12-21-19(23)26-20(3,4)5/h9-10,13H,7-8,11-12,14-15H2,1-6H3,(H,21,23)
InChIKeyHYYAHDRUUPXNBC-UHFFFAOYSA-N
XLogP3.58
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.50
LogP ≤ 53.58
H-Bond Donors ≤ 51
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-[2-[3-formyl-4-(methoxymethoxy)phenyl]ethyl]carbamate
CID 166045337
tert-butyl N-[2-[4-(methoxymethoxy)-3-tributylstannylphenyl]ethyl]carbamate
CID 44518721
tert-butyl N-[2-(3-formyl-4-methoxyphenyl)ethyl]carbamate
CID 175662154
3-[3-(diethylaminomethyl)-4-propoxyphenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 165343065
tert-butyl N-[2-[3-methoxy-4-(trideuteriomethoxy)phenyl]ethyl]carbamate
CID 178156317
tert-butyl N-[2-(4-amino-3-methoxyphenyl)ethyl]carbamate
CID 22981165
tert-butyl N-[2-[4-diethoxyphosphoryloxy-3-(hydroxymethyl)phenyl]ethyl]carbamate
CID 118335151
methyl 3-[3,4-bis[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]phenyl]propanoate
CID 135022691
tert-butyl N-[2-[4-(2-hydroxyethyl)phenyl]ethyl]carbamate
CID 91185994
tert-butyl N-(2-phenylethyl)carbamate;ethane
CID 177159157
tert-butyl N-[2-[4-(hydroxymethyl)phenyl]ethyl]carbamate
CID 22337080
methyl 2-hydroxy-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]benzoate
CID 57016179

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[3-(diethylaminomethyl)-4-(methoxymethoxy)phenyl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[3-(diethylaminomethyl)-4-(methoxymethoxy)phenyl]ethyl]carbamate (CID 166114646) is tert-butyl N-[2-[3-(diethylaminomethyl)-4-(methoxymethoxy)phenyl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[3-(diethylaminomethyl)-4-(methoxymethoxy)phenyl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[3-(diethylaminomethyl)-4-(methoxymethoxy)phenyl]ethyl]carbamate is CCN(CC)Cc1cc(CCNC(=O)OC(C)(C)C)ccc1OCOC.
What is the InChIKey of tert-butyl N-[2-[3-(diethylaminomethyl)-4-(methoxymethoxy)phenyl]ethyl]carbamate?
The InChIKey is HYYAHDRUUPXNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O4/c1-7-22(8-2)14-17-13-16(9-10-18(17)25-15-24-6)11-12-21-19(23)26-20(3,4)5/h9-10,13H,7-8,11-12,14-15H2,1-6H3,(H,21,23).
What are the key properties of tert-butyl N-[2-[3-(diethylaminomethyl)-4-(methoxymethoxy)phenyl]ethyl]carbamate?
tert-butyl N-[2-[3-(diethylaminomethyl)-4-(methoxymethoxy)phenyl]ethyl]carbamate has a molecular weight of 366.50 g/mol, XLogP of 3.58, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[3-(diethylaminomethyl)-4-(methoxymethoxy)phenyl]ethyl]carbamate is sourced from PubChem (CID 166114646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).