N-[2-(2-amino-2-oxoethoxy)ethyl]-3-propan-2-yloxypropanamide

C10H20N2O4 — CID 169159444

IUPACN-[2-(2-amino-2-oxoethoxy)ethyl]-3-propan-2-yloxypropanamide
SMILESCC(C)OCCC(=O)NCCOCC(N)=O
InChIInChI=1S/C10H20N2O4/c1-8(2)16-5-3-10(14)12-4-6-15-7-9(11)13/h8H,3-7H2,1-2H3,(H2,11,13)(H,12,14)
InChIKeyIDYOHYYLSQCHJM-UHFFFAOYSA-N
MW232.28 g/mol
LogP-0.58
Rot. Bonds9

About N-[2-(2-amino-2-oxoethoxy)ethyl]-3-propan-2-yloxypropanamide

N-[2-(2-amino-2-oxoethoxy)ethyl]-3-propan-2-yloxypropanamide (PubChem CID 169159444) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is N-[2-(2-amino-2-oxoethoxy)ethyl]-3-propan-2-yloxypropanamide.

Molecular Properties

Compound NameN-[2-(2-amino-2-oxoethoxy)ethyl]-3-propan-2-yloxypropanamide
PubChem CID169159444
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC NameN-[2-(2-amino-2-oxoethoxy)ethyl]-3-propan-2-yloxypropanamide
SMILESCC(C)OCCC(=O)NCCOCC(N)=O
InChIInChI=1S/C10H20N2O4/c1-8(2)16-5-3-10(14)12-4-6-15-7-9(11)13/h8H,3-7H2,1-2H3,(H2,11,13)(H,12,14)
InChIKeyIDYOHYYLSQCHJM-UHFFFAOYSA-N
XLogP-0.58
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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
2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]propanamide
CID 106236536
3-[2-(3-butan-2-yloxypropanoylamino)ethoxy]propanamide
CID 169159102
4-methyl-N-[2-(2-propan-2-yloxyethoxy)ethyl]pentanamide
CID 176759210
molecular hydrogen;N-[2-oxo-2-[2-(2-oxopentoxy)ethylamino]ethyl]-3-(2-propan-2-yloxyethoxy)propanamide
CID 178126322
2-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethoxy]acetamide
CID 103767893
6-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]hexanamide
CID 106236522
2-(2-methoxyethoxy)-N-(2-propan-2-yloxyethyl)acetamide
CID 104578556
3-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-2-methylpropanamide
CID 106235091
1-cyclobutylpropan-1-one;molecular hydrogen;3-[2-(3-propan-2-yloxypropanoylamino)ethoxy]propanamide
CID 169158637
3-[2-[[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]acetyl]amino]-3-[3-oxo-3-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethylamino]propoxy]propoxy]-N-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethyl]propanamide
CID 176825441
molecular hydrogen;4-propan-2-yloxy-N-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]butanamide
CID 155739531

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-2-oxoethoxy)ethyl]-3-propan-2-yloxypropanamide?
The IUPAC name of N-[2-(2-amino-2-oxoethoxy)ethyl]-3-propan-2-yloxypropanamide (CID 169159444) is N-[2-(2-amino-2-oxoethoxy)ethyl]-3-propan-2-yloxypropanamide.
What is the SMILES notation for N-[2-(2-amino-2-oxoethoxy)ethyl]-3-propan-2-yloxypropanamide?
The canonical SMILES for N-[2-(2-amino-2-oxoethoxy)ethyl]-3-propan-2-yloxypropanamide is CC(C)OCCC(=O)NCCOCC(N)=O.
What is the InChIKey of N-[2-(2-amino-2-oxoethoxy)ethyl]-3-propan-2-yloxypropanamide?
The InChIKey is IDYOHYYLSQCHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-8(2)16-5-3-10(14)12-4-6-15-7-9(11)13/h8H,3-7H2,1-2H3,(H2,11,13)(H,12,14).
What are the key properties of N-[2-(2-amino-2-oxoethoxy)ethyl]-3-propan-2-yloxypropanamide?
N-[2-(2-amino-2-oxoethoxy)ethyl]-3-propan-2-yloxypropanamide has a molecular weight of 232.28 g/mol, XLogP of -0.58, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-amino-2-oxoethoxy)ethyl]-3-propan-2-yloxypropanamide is sourced from PubChem (CID 169159444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).