tert-butyl N-[3-[2-(2-methoxyphenoxy)ethylamino]-3-oxopropyl]carbamate

C17H26N2O5 — CID 38455025

IUPACtert-butyl N-[3-[2-(2-methoxyphenoxy)ethylamino]-3-oxopropyl]carbamate
SMILESCOc1ccccc1OCCNC(=O)CCNC(=O)OC(C)(C)C
InChIInChI=1S/C17H26N2O5/c1-17(2,3)24-16(21)19-10-9-15(20)18-11-12-23-14-8-6-5-7-13(14)22-4/h5-8H,9-12H2,1-4H3,(H,18,20)(H,19,21)
InChIKeyTZUJSUJPYBCEPN-UHFFFAOYSA-N
MW338.40 g/mol
LogP2.11
Rot. Bonds8

About tert-butyl N-[3-[2-(2-methoxyphenoxy)ethylamino]-3-oxopropyl]carbamate

tert-butyl N-[3-[2-(2-methoxyphenoxy)ethylamino]-3-oxopropyl]carbamate (PubChem CID 38455025) has the molecular formula C17H26N2O5 and a molecular weight of 338.40 g/mol. Its IUPAC name is tert-butyl N-[3-[2-(2-methoxyphenoxy)ethylamino]-3-oxopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[2-(2-methoxyphenoxy)ethylamino]-3-oxopropyl]carbamate
PubChem CID38455025
Molecular FormulaC17H26N2O5
Molecular Weight338.40 g/mol
Exact Mass338.18
IUPAC Nametert-butyl N-[3-[2-(2-methoxyphenoxy)ethylamino]-3-oxopropyl]carbamate
SMILESCOc1ccccc1OCCNC(=O)CCNC(=O)OC(C)(C)C
InChIInChI=1S/C17H26N2O5/c1-17(2,3)24-16(21)19-10-9-15(20)18-11-12-23-14-8-6-5-7-13(14)22-4/h5-8H,9-12H2,1-4H3,(H,18,20)(H,19,21)
InChIKeyTZUJSUJPYBCEPN-UHFFFAOYSA-N
XLogP2.11
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 108919901
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N-[2-(2-methoxyphenoxy)ethyl]-3-(2-methoxyphenyl)propanamide
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tert-butyl N-[2-(2-fluorophenoxy)ethyl]carbamate
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N-[2-(2-methoxyphenoxy)ethyl]octadecanamide
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2-(2-ethoxyphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]acetamide
CID 8961000
tert-butyl N-[2-[3-[[2-(2-methoxyphenoxy)acetyl]amino]propylamino]-2-oxoethyl]carbamate
CID 108918782
N-[3-[2-(2-methoxyphenoxy)ethylamino]-3-oxopropyl]-3-methylbenzamide
CID 18113511
tert-butyl N-[3-[[(1S,2R)-2-(2-methoxyphenyl)cyclopropyl]amino]-3-oxopropyl]carbamate
CID 95331057
tert-butyl N-[3-[[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]amino]-3-oxopropyl]carbamate
CID 95331056
4-(4-ethoxyphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]butanamide
CID 24819647
tert-butyl N-[2-[4-[(1E,6E)-7-(3,4-dimethoxyphenyl)-3,5-dioxohepta-1,6-dienyl]-2-methoxyphenoxy]ethyl]carbamate
CID 126613894

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[2-(2-methoxyphenoxy)ethylamino]-3-oxopropyl]carbamate?
The IUPAC name of tert-butyl N-[3-[2-(2-methoxyphenoxy)ethylamino]-3-oxopropyl]carbamate (CID 38455025) is tert-butyl N-[3-[2-(2-methoxyphenoxy)ethylamino]-3-oxopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[2-(2-methoxyphenoxy)ethylamino]-3-oxopropyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[2-(2-methoxyphenoxy)ethylamino]-3-oxopropyl]carbamate is COc1ccccc1OCCNC(=O)CCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[3-[2-(2-methoxyphenoxy)ethylamino]-3-oxopropyl]carbamate?
The InChIKey is TZUJSUJPYBCEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O5/c1-17(2,3)24-16(21)19-10-9-15(20)18-11-12-23-14-8-6-5-7-13(14)22-4/h5-8H,9-12H2,1-4H3,(H,18,20)(H,19,21).
What are the key properties of tert-butyl N-[3-[2-(2-methoxyphenoxy)ethylamino]-3-oxopropyl]carbamate?
tert-butyl N-[3-[2-(2-methoxyphenoxy)ethylamino]-3-oxopropyl]carbamate has a molecular weight of 338.40 g/mol, XLogP of 2.11, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[2-(2-methoxyphenoxy)ethylamino]-3-oxopropyl]carbamate is sourced from PubChem (CID 38455025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).