propan-2-yl 3-[[[2-[2-[2-(3-methylpentoxy)ethoxy]ethoxy]acetyl]amino]methoxy]propanoate

C19H37NO7 — CID 167448183

IUPACpropan-2-yl 3-[[[2-[2-[2-(3-methylpentoxy)ethoxy]ethoxy]acetyl]amino]methoxy]propanoate
SMILESCCC(C)CCOCCOCCOCC(=O)NCOCCC(=O)OC(C)C
InChIInChI=1S/C19H37NO7/c1-5-17(4)6-8-23-10-11-24-12-13-25-14-18(21)20-15-26-9-7-19(22)27-16(2)3/h16-17H,5-15H2,1-4H3,(H,20,21)
InChIKeyUNVFUXIHLZMMCC-UHFFFAOYSA-N
MW391.51 g/mol
LogP1.90
Rot. Bonds18

About propan-2-yl 3-[[[2-[2-[2-(3-methylpentoxy)ethoxy]ethoxy]acetyl]amino]methoxy]propanoate

propan-2-yl 3-[[[2-[2-[2-(3-methylpentoxy)ethoxy]ethoxy]acetyl]amino]methoxy]propanoate (PubChem CID 167448183) has the molecular formula C19H37NO7 and a molecular weight of 391.51 g/mol. Its IUPAC name is propan-2-yl 3-[[[2-[2-[2-(3-methylpentoxy)ethoxy]ethoxy]acetyl]amino]methoxy]propanoate.

Molecular Properties

Compound Namepropan-2-yl 3-[[[2-[2-[2-(3-methylpentoxy)ethoxy]ethoxy]acetyl]amino]methoxy]propanoate
PubChem CID167448183
Molecular FormulaC19H37NO7
Molecular Weight391.51 g/mol
Exact Mass391.26
IUPAC Namepropan-2-yl 3-[[[2-[2-[2-(3-methylpentoxy)ethoxy]ethoxy]acetyl]amino]methoxy]propanoate
SMILESCCC(C)CCOCCOCCOCC(=O)NCOCCC(=O)OC(C)C
InChIInChI=1S/C19H37NO7/c1-5-17(4)6-8-23-10-11-24-12-13-25-14-18(21)20-15-26-9-7-19(22)27-16(2)3/h16-17H,5-15H2,1-4H3,(H,20,21)
InChIKeyUNVFUXIHLZMMCC-UHFFFAOYSA-N
XLogP1.90
TPSA92.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.51
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

ethane;ethyl 3-[[[2-[2-(2-butoxyethoxy)ethoxy]acetyl]amino]methoxy]propanoate;ethyl 3-[3-(3-oxo-3-propan-2-yloxypropoxy)propoxy]propanoate;molecular hydrogen
CID 178008484
N-butyl-2-[2-[2-(4-methylhexoxy)ethoxy]ethoxy]acetamide;molecular hydrogen;sulfane
CID 171540633
molecular hydrogen;N-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethyl]-3-[2-[[2-[2-(2-propoxyethoxy)ethoxy]acetyl]amino]ethoxy]propanamide
CID 176953270
propan-2-yl 4-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]butanoate
CID 121469653
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-methylpentane
CID 126547555
N'-[2-[2-[2-[2-[2-[2-[[(5S)-5-methylheptyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]-N-[(5R)-5-methyl-7-oxooctyl]pentanediamide
CID 123464565
propan-2-yl 5-propoxypentanoate
CID 134561604
propan-2-yl 4-(2-ethoxyethoxy)butanoate
CID 121470224
N-[2-(3-methylpentoxy)ethyl]-5-propan-2-yloxypentanamide;molecular hydrogen
CID 177338040
ethane;N-ethyl-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]acetamide
CID 167443378
N-ethyl-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]acetamide
CID 167443379
propan-2-yl 2-[2-(2-hydroxyethoxy)ethoxy]acetate
CID 21252463

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-[[[2-[2-[2-(3-methylpentoxy)ethoxy]ethoxy]acetyl]amino]methoxy]propanoate?
The IUPAC name of propan-2-yl 3-[[[2-[2-[2-(3-methylpentoxy)ethoxy]ethoxy]acetyl]amino]methoxy]propanoate (CID 167448183) is propan-2-yl 3-[[[2-[2-[2-(3-methylpentoxy)ethoxy]ethoxy]acetyl]amino]methoxy]propanoate.
What is the SMILES notation for propan-2-yl 3-[[[2-[2-[2-(3-methylpentoxy)ethoxy]ethoxy]acetyl]amino]methoxy]propanoate?
The canonical SMILES for propan-2-yl 3-[[[2-[2-[2-(3-methylpentoxy)ethoxy]ethoxy]acetyl]amino]methoxy]propanoate is CCC(C)CCOCCOCCOCC(=O)NCOCCC(=O)OC(C)C.
What is the InChIKey of propan-2-yl 3-[[[2-[2-[2-(3-methylpentoxy)ethoxy]ethoxy]acetyl]amino]methoxy]propanoate?
The InChIKey is UNVFUXIHLZMMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO7/c1-5-17(4)6-8-23-10-11-24-12-13-25-14-18(21)20-15-26-9-7-19(22)27-16(2)3/h16-17H,5-15H2,1-4H3,(H,20,21).
What are the key properties of propan-2-yl 3-[[[2-[2-[2-(3-methylpentoxy)ethoxy]ethoxy]acetyl]amino]methoxy]propanoate?
propan-2-yl 3-[[[2-[2-[2-(3-methylpentoxy)ethoxy]ethoxy]acetyl]amino]methoxy]propanoate has a molecular weight of 391.51 g/mol, XLogP of 1.90, 18 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-[[[2-[2-[2-(3-methylpentoxy)ethoxy]ethoxy]acetyl]amino]methoxy]propanoate is sourced from PubChem (CID 167448183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).