ethane;2-methyl-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]propanamide

C14H29NO4 — CID 176578249

IUPACethane;2-methyl-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]propanamide
SMILESCC.CC(=O)CCOCCOCCNC(=O)C(C)C
InChIInChI=1S/C12H23NO4.C2H6/c1-10(2)12(15)13-5-7-17-9-8-16-6-4-11(3)14;1-2/h10H,4-9H2,1-3H3,(H,13,15);1-2H3
InChIKeyYNURXXCSRHYUPU-UHFFFAOYSA-N
MW275.39 g/mol
LogP1.80
Rot. Bonds10

About ethane;2-methyl-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]propanamide

ethane;2-methyl-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]propanamide (PubChem CID 176578249) has the molecular formula C14H29NO4 and a molecular weight of 275.39 g/mol. Its IUPAC name is ethane;2-methyl-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]propanamide.

Molecular Properties

Compound Nameethane;2-methyl-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]propanamide
PubChem CID176578249
Molecular FormulaC14H29NO4
Molecular Weight275.39 g/mol
Exact Mass275.21
IUPAC Nameethane;2-methyl-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]propanamide
SMILESCC.CC(=O)CCOCCOCCNC(=O)C(C)C
InChIInChI=1S/C12H23NO4.C2H6/c1-10(2)12(15)13-5-7-17-9-8-16-6-4-11(3)14;1-2/h10H,4-9H2,1-3H3,(H,13,15);1-2H3
InChIKeyYNURXXCSRHYUPU-UHFFFAOYSA-N
XLogP1.80
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethane;4-oxo-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]pentanamide
CID 145408337
2-methyl-N-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 138727258
2-methyl-N-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 138727326
N-[2-[2-[2-[2-[2-(2-hydrazinylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-methylpropanamide
CID 156530272
N-[2-[2-(diethylamino)ethoxy]ethyl]-2-methylpropanamide
CID 110425032
2-methyl-N-[2-[2-[2-[2-[2-(5-methyl-2-oxohexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 167576629
ethane;2-methyl-N-[2-[2-[2-[2-[2-[2-[2-[2-[[2-(methylamino)acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 145320250
N-[2-(2-chloroethoxy)ethyl]-2-methylpropanamide
CID 114297620
4-[2-(propan-2-ylamino)ethoxy]butan-2-one
CID 147119973
2-(3-oxobutoxy)ethylurea
CID 176664573
2-methyl-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]propanamide
CID 138727288
3-methyl-N-[2-[2-[2-[2-[2-(2-methylpropanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 129177570

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]propanamide?
The IUPAC name of ethane;2-methyl-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]propanamide (CID 176578249) is ethane;2-methyl-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]propanamide.
What is the SMILES notation for ethane;2-methyl-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]propanamide?
The canonical SMILES for ethane;2-methyl-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]propanamide is CC.CC(=O)CCOCCOCCNC(=O)C(C)C.
What is the InChIKey of ethane;2-methyl-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]propanamide?
The InChIKey is YNURXXCSRHYUPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4.C2H6/c1-10(2)12(15)13-5-7-17-9-8-16-6-4-11(3)14;1-2/h10H,4-9H2,1-3H3,(H,13,15);1-2H3.
What are the key properties of ethane;2-methyl-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]propanamide?
ethane;2-methyl-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]propanamide has a molecular weight of 275.39 g/mol, XLogP of 1.80, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]propanamide is sourced from PubChem (CID 176578249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).