tert-butyl N-[2-[2-(2-methoxyphenoxy)ethyl-methylamino]ethyl]carbamate

C17H28N2O4 — CID 71875972

IUPACtert-butyl N-[2-[2-(2-methoxyphenoxy)ethyl-methylamino]ethyl]carbamate
SMILESCOc1ccccc1OCCN(C)CCNC(=O)OC(C)(C)C
InChIInChI=1S/C17H28N2O4/c1-17(2,3)23-16(20)18-10-11-19(4)12-13-22-15-9-7-6-8-14(15)21-5/h6-9H,10-13H2,1-5H3,(H,18,20)
InChIKeyGSECVDYBSYVYCJ-UHFFFAOYSA-N
MW324.42 g/mol
LogP2.53
Rot. Bonds8

About tert-butyl N-[2-[2-(2-methoxyphenoxy)ethyl-methylamino]ethyl]carbamate

tert-butyl N-[2-[2-(2-methoxyphenoxy)ethyl-methylamino]ethyl]carbamate (PubChem CID 71875972) has the molecular formula C17H28N2O4 and a molecular weight of 324.42 g/mol. Its IUPAC name is tert-butyl N-[2-[2-(2-methoxyphenoxy)ethyl-methylamino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[2-(2-methoxyphenoxy)ethyl-methylamino]ethyl]carbamate
PubChem CID71875972
Molecular FormulaC17H28N2O4
Molecular Weight324.42 g/mol
Exact Mass324.20
IUPAC Nametert-butyl N-[2-[2-(2-methoxyphenoxy)ethyl-methylamino]ethyl]carbamate
SMILESCOc1ccccc1OCCN(C)CCNC(=O)OC(C)(C)C
InChIInChI=1S/C17H28N2O4/c1-17(2,3)23-16(20)18-10-11-19(4)12-13-22-15-9-7-6-8-14(15)21-5/h6-9H,10-13H2,1-5H3,(H,18,20)
InChIKeyGSECVDYBSYVYCJ-UHFFFAOYSA-N
XLogP2.53
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[3-[2-(2-methoxyphenoxy)ethylamino]-3-oxopropyl]carbamate
CID 38455025
tert-butyl N-[2-[2-methoxyethyl(methyl)amino]ethyl]carbamate
CID 65142937
N-[2-(2,6-dimethoxyphenoxy)ethyl]-2-(2-methoxyphenoxy)-N-methylethanamine
CID 14895640
tert-butyl N-[2-(2-fluorophenoxy)ethyl]carbamate
CID 54333211
methyl 3-[2-(2-methoxyphenoxy)ethyl-methylamino]-2-methylpropanoate
CID 60965015
tert-butyl N-[3-[4-[[2-(2-methoxyphenoxy)acetyl]amino]anilino]-3-oxopropyl]carbamate
CID 108919901
2-[3-[methyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]propanoyloxy]ethyl 3-[methyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]propanoate
CID 168851314
tert-butyl N-[2-[3-[[2-(2-methoxyphenoxy)acetyl]amino]propylamino]-2-oxoethyl]carbamate
CID 108918782
tert-butyl N-[(2-methoxyphenyl)methyl]carbamate;hydrochloride
CID 174676513
tert-butyl N-[2-[benzoyl(methyl)amino]ethyl]carbamate
CID 167260960
tert-butyl N-[2-[methoxy(methyl)amino]ethyl]carbamate
CID 123324286
2-amino-N-[2-(2-methoxyphenoxy)ethyl]-N-methylacetamide;hydrochloride
CID 119294047

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-(2-methoxyphenoxy)ethyl-methylamino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[2-(2-methoxyphenoxy)ethyl-methylamino]ethyl]carbamate (CID 71875972) is tert-butyl N-[2-[2-(2-methoxyphenoxy)ethyl-methylamino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[2-(2-methoxyphenoxy)ethyl-methylamino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[2-(2-methoxyphenoxy)ethyl-methylamino]ethyl]carbamate is COc1ccccc1OCCN(C)CCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[2-(2-methoxyphenoxy)ethyl-methylamino]ethyl]carbamate?
The InChIKey is GSECVDYBSYVYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O4/c1-17(2,3)23-16(20)18-10-11-19(4)12-13-22-15-9-7-6-8-14(15)21-5/h6-9H,10-13H2,1-5H3,(H,18,20).
What are the key properties of tert-butyl N-[2-[2-(2-methoxyphenoxy)ethyl-methylamino]ethyl]carbamate?
tert-butyl N-[2-[2-(2-methoxyphenoxy)ethyl-methylamino]ethyl]carbamate has a molecular weight of 324.42 g/mol, XLogP of 2.53, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[2-(2-methoxyphenoxy)ethyl-methylamino]ethyl]carbamate is sourced from PubChem (CID 71875972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).