N-[2-(2-methoxypropoxy)ethyl]-4-oxohex-5-enamide

C12H21NO4 — CID 91257741

IUPACN-[2-(2-methoxypropoxy)ethyl]-4-oxohex-5-enamide
SMILESC=CC(=O)CCC(=O)NCCOCC(C)OC
InChIInChI=1S/C12H21NO4/c1-4-11(14)5-6-12(15)13-7-8-17-9-10(2)16-3/h4,10H,1,5-9H2,2-3H3,(H,13,15)
InChIKeyYDXIBZQRPLCPCZ-UHFFFAOYSA-N
MW243.30 g/mol
LogP0.69
Rot. Bonds10

About N-[2-(2-methoxypropoxy)ethyl]-4-oxohex-5-enamide

N-[2-(2-methoxypropoxy)ethyl]-4-oxohex-5-enamide (PubChem CID 91257741) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is N-[2-(2-methoxypropoxy)ethyl]-4-oxohex-5-enamide.

Molecular Properties

Compound NameN-[2-(2-methoxypropoxy)ethyl]-4-oxohex-5-enamide
PubChem CID91257741
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC NameN-[2-(2-methoxypropoxy)ethyl]-4-oxohex-5-enamide
SMILESC=CC(=O)CCC(=O)NCCOCC(C)OC
InChIInChI=1S/C12H21NO4/c1-4-11(14)5-6-12(15)13-7-8-17-9-10(2)16-3/h4,10H,1,5-9H2,2-3H3,(H,13,15)
InChIKeyYDXIBZQRPLCPCZ-UHFFFAOYSA-N
XLogP0.69
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[2-[2-[2-(prop-2-enoylamino)ethoxy]propoxy]ethyl]prop-2-enamide
CID 58412122
5-(2-methylpropoxy)pent-1-en-3-one
CID 161282003
5-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]pent-1-en-3-one
CID 142398269
N-[2-[2-[2-[3-oxo-3-(propan-2-ylamino)propoxy]ethoxy]ethoxy]ethyl]-N'-propan-2-ylpentanediamide
CID 170207685
N-[2-(2-methylpropoxy)ethyl]propanamide
CID 115588549
2-(2-methoxypropoxy)ethyl 2-methylprop-2-enoate
CID 20625798
3-methoxy-N-[2-[2-[2-(3-methoxypropanoylamino)ethoxy]ethoxy]ethyl]propanamide
CID 166969109
N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-5-oxopentanamide
CID 162740366
N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-3-[2-[[2-[2-[2-(3-methylpent-4-enoxy)ethoxy]ethoxy]acetyl]amino]ethoxy]propanamide
CID 171556625
N,N'-bis(2-methoxyethyl)hexanediamide
CID 2933923
2-(1-methoxypropan-2-yloxycarbonylamino)ethyl prop-2-enoate
CID 170150798
ethyl 4-[2-(2,2-difluoroethoxy)ethylamino]-4-oxobutanoate
CID 103082388

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxypropoxy)ethyl]-4-oxohex-5-enamide?
The IUPAC name of N-[2-(2-methoxypropoxy)ethyl]-4-oxohex-5-enamide (CID 91257741) is N-[2-(2-methoxypropoxy)ethyl]-4-oxohex-5-enamide.
What is the SMILES notation for N-[2-(2-methoxypropoxy)ethyl]-4-oxohex-5-enamide?
The canonical SMILES for N-[2-(2-methoxypropoxy)ethyl]-4-oxohex-5-enamide is C=CC(=O)CCC(=O)NCCOCC(C)OC.
What is the InChIKey of N-[2-(2-methoxypropoxy)ethyl]-4-oxohex-5-enamide?
The InChIKey is YDXIBZQRPLCPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-4-11(14)5-6-12(15)13-7-8-17-9-10(2)16-3/h4,10H,1,5-9H2,2-3H3,(H,13,15).
What are the key properties of N-[2-(2-methoxypropoxy)ethyl]-4-oxohex-5-enamide?
N-[2-(2-methoxypropoxy)ethyl]-4-oxohex-5-enamide has a molecular weight of 243.30 g/mol, XLogP of 0.69, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxypropoxy)ethyl]-4-oxohex-5-enamide is sourced from PubChem (CID 91257741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).