2-[3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]propanoylamino]ethylcarbamic acid

C15H30N2O7 — CID 143180051

IUPAC2-[3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]propanoylamino]ethylcarbamic acid
SMILESCCCOCCOCCOCCOCCC(=O)NCCNC(=O)O
InChIInChI=1S/C15H30N2O7/c1-2-6-21-8-10-23-12-13-24-11-9-22-7-3-14(18)16-4-5-17-15(19)20/h17H,2-13H2,1H3,(H,16,18)(H,19,20)
InChIKeyDJULHXTZXYDNQS-UHFFFAOYSA-N
MW350.41 g/mol
LogP0.24
Rot. Bonds17

About 2-[3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]propanoylamino]ethylcarbamic acid

2-[3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]propanoylamino]ethylcarbamic acid (PubChem CID 143180051) has the molecular formula C15H30N2O7 and a molecular weight of 350.41 g/mol. Its IUPAC name is 2-[3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]propanoylamino]ethylcarbamic acid.

Molecular Properties

Compound Name2-[3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]propanoylamino]ethylcarbamic acid
PubChem CID143180051
Molecular FormulaC15H30N2O7
Molecular Weight350.41 g/mol
Exact Mass350.21
IUPAC Name2-[3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]propanoylamino]ethylcarbamic acid
SMILESCCCOCCOCCOCCOCCC(=O)NCCNC(=O)O
InChIInChI=1S/C15H30N2O7/c1-2-6-21-8-10-23-12-13-24-11-9-22-7-3-14(18)16-4-5-17-15(19)20/h17H,2-13H2,1H3,(H,16,18)(H,19,20)
InChIKeyDJULHXTZXYDNQS-UHFFFAOYSA-N
XLogP0.24
TPSA115.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.41
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(2-propoxyethoxy)-N-propylpropanamide
CID 163586322
ethane;3-propoxy-N-propylpropanamide
CID 163269237
N-ethyl-3-[2-(2-propoxyethoxy)ethoxy]propanamide
CID 144855445
2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamic acid
CID 123981606
N-[2-(2-propoxyethoxy)ethyl]butanamide
CID 88853938
N-(3-methylbutyl)-3-(2-propoxyethoxy)propanamide
CID 167117369
7-(3-propoxypropanoylamino)heptanoic acid
CID 62688600
N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-(2-propoxyethoxy)propanamide;molecular hydrogen
CID 176987409
2-[[2-(3-propoxypropanoylamino)acetyl]amino]acetic acid
CID 62686785
ethane;(3-propoxypropanoylamino)methylmercury
CID 166157838
3-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-propylpropanamide
CID 176761961
3-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]propanoic acid
CID 175775195

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]propanoylamino]ethylcarbamic acid?
The IUPAC name of 2-[3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]propanoylamino]ethylcarbamic acid (CID 143180051) is 2-[3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]propanoylamino]ethylcarbamic acid.
What is the SMILES notation for 2-[3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]propanoylamino]ethylcarbamic acid?
The canonical SMILES for 2-[3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]propanoylamino]ethylcarbamic acid is CCCOCCOCCOCCOCCC(=O)NCCNC(=O)O.
What is the InChIKey of 2-[3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]propanoylamino]ethylcarbamic acid?
The InChIKey is DJULHXTZXYDNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O7/c1-2-6-21-8-10-23-12-13-24-11-9-22-7-3-14(18)16-4-5-17-15(19)20/h17H,2-13H2,1H3,(H,16,18)(H,19,20).
What are the key properties of 2-[3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]propanoylamino]ethylcarbamic acid?
2-[3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]propanoylamino]ethylcarbamic acid has a molecular weight of 350.41 g/mol, XLogP of 0.24, 17 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]propanoylamino]ethylcarbamic acid is sourced from PubChem (CID 143180051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).