methyl 3-[(3-methoxy-3-oxopropyl)-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]amino]propanoate

C17H29NO7 — CID 153484901

IUPACmethyl 3-[(3-methoxy-3-oxopropyl)-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]amino]propanoate
SMILESC#CCOCCOCCOCCN(CCC(=O)OC)CCC(=O)OC
InChIInChI=1S/C17H29NO7/c1-4-10-23-12-14-25-15-13-24-11-9-18(7-5-16(19)21-2)8-6-17(20)22-3/h1H,5-15H2,2-3H3
InChIKeyBNWCDBCRGBITJZ-UHFFFAOYSA-N
MW359.42 g/mol
LogP0.10
Rot. Bonds16

About methyl 3-[(3-methoxy-3-oxopropyl)-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]amino]propanoate

methyl 3-[(3-methoxy-3-oxopropyl)-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]amino]propanoate (PubChem CID 153484901) has the molecular formula C17H29NO7 and a molecular weight of 359.42 g/mol. Its IUPAC name is methyl 3-[(3-methoxy-3-oxopropyl)-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(3-methoxy-3-oxopropyl)-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]amino]propanoate
PubChem CID153484901
Molecular FormulaC17H29NO7
Molecular Weight359.42 g/mol
Exact Mass359.19
IUPAC Namemethyl 3-[(3-methoxy-3-oxopropyl)-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]amino]propanoate
SMILESC#CCOCCOCCOCCN(CCC(=O)OC)CCC(=O)OC
InChIInChI=1S/C17H29NO7/c1-4-10-23-12-14-25-15-13-24-11-9-18(7-5-16(19)21-2)8-6-17(20)22-3/h1H,5-15H2,2-3H3
InChIKeyBNWCDBCRGBITJZ-UHFFFAOYSA-N
XLogP0.10
TPSA83.53 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-prop-2-ynoxybutanoate
CID 43378199
methyl 3-[2-methoxyethyl(pent-4-ynyl)amino]propanoate
CID 112548452
methyl 3-[2-[2-[bis(3-methoxy-3-oxopropyl)amino]ethyl-(3-methoxy-3-oxopropyl)amino]ethyl-(3-methoxy-3-oxopropyl)amino]propanoate
CID 59280841
methyl 3-[2-(2-hydroxyethoxy)ethyl-[3-(methylamino)-3-oxopropyl]amino]propanoate
CID 118657519
tert-butyl N-[2-[2-[bis[2-(2-prop-2-ynoxyethoxy)ethyl]amino]ethoxy]ethyl]carbamate
CID 126480429
methyl 3-[2-methoxyethyl-[2-(3-methylbutoxy)ethyl]amino]propanoate
CID 78960557
3-[bis(3-methoxy-3-oxopropyl)amino]propanoic acid
CID 172719871
methyl 3-[but-3-ynyl(ethyl)amino]propanoate
CID 62027913
methyl 3-[2-fluoroethyl(2-methoxyethyl)amino]propanoate
CID 80601723
methyl 3-[2-[bis(3-oxobutyl)amino]ethyl-(3-methoxy-3-oxopropyl)amino]propanoate
CID 89253634
methanamine;N-methyl-3-[2-(2-prop-2-ynoxyethoxy)ethoxy]propanamide
CID 159160383
(2,3,4,5,6-pentafluorophenyl) 3-[2-(2-prop-2-ynoxyethoxy)ethoxy]propanoate
CID 118796279

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-methoxy-3-oxopropyl)-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]amino]propanoate?
The IUPAC name of methyl 3-[(3-methoxy-3-oxopropyl)-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]amino]propanoate (CID 153484901) is methyl 3-[(3-methoxy-3-oxopropyl)-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]amino]propanoate.
What is the SMILES notation for methyl 3-[(3-methoxy-3-oxopropyl)-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]amino]propanoate?
The canonical SMILES for methyl 3-[(3-methoxy-3-oxopropyl)-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]amino]propanoate is C#CCOCCOCCOCCN(CCC(=O)OC)CCC(=O)OC.
What is the InChIKey of methyl 3-[(3-methoxy-3-oxopropyl)-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]amino]propanoate?
The InChIKey is BNWCDBCRGBITJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO7/c1-4-10-23-12-14-25-15-13-24-11-9-18(7-5-16(19)21-2)8-6-17(20)22-3/h1H,5-15H2,2-3H3.
What are the key properties of methyl 3-[(3-methoxy-3-oxopropyl)-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]amino]propanoate?
methyl 3-[(3-methoxy-3-oxopropyl)-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]amino]propanoate has a molecular weight of 359.42 g/mol, XLogP of 0.10, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-methoxy-3-oxopropyl)-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]amino]propanoate is sourced from PubChem (CID 153484901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).