N-[2-(2-hydroxyethoxy)ethyl]-3-(oxan-2-yl)propanamide

C12H23NO4 — CID 63953367

IUPACN-[2-(2-hydroxyethoxy)ethyl]-3-(oxan-2-yl)propanamide
SMILESO=C(CCC1CCCCO1)NCCOCCO
InChIInChI=1S/C12H23NO4/c14-7-10-16-9-6-13-12(15)5-4-11-3-1-2-8-17-11/h11,14H,1-10H2,(H,13,15)
InChIKeyXDLQMEBJOLTGOR-UHFFFAOYSA-N
MW245.32 g/mol
LogP0.46
Rot. Bonds8

About N-[2-(2-hydroxyethoxy)ethyl]-3-(oxan-2-yl)propanamide

N-[2-(2-hydroxyethoxy)ethyl]-3-(oxan-2-yl)propanamide (PubChem CID 63953367) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is N-[2-(2-hydroxyethoxy)ethyl]-3-(oxan-2-yl)propanamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethoxy)ethyl]-3-(oxan-2-yl)propanamide
PubChem CID63953367
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC NameN-[2-(2-hydroxyethoxy)ethyl]-3-(oxan-2-yl)propanamide
SMILESO=C(CCC1CCCCO1)NCCOCCO
InChIInChI=1S/C12H23NO4/c14-7-10-16-9-6-13-12(15)5-4-11-3-1-2-8-17-11/h11,14H,1-10H2,(H,13,15)
InChIKeyXDLQMEBJOLTGOR-UHFFFAOYSA-N
XLogP0.46
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 50.46
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

N-(2-hydroxyethyl)-3-(oxolan-2-yl)propanamide
CID 43419593
3-cyclopentyl-N-[2-(2-hydroxyethoxy)ethyl]propanamide
CID 60654438
3-(oxan-2-yl)-N-(2-piperidin-4-yloxyethyl)propanamide
CID 63952971
4-[3-(oxan-2-yl)propanoylamino]butanoic acid
CID 63953918
N-(3-aminopropyl)-3-(oxan-2-yl)propanamide
CID 63953300
N-(6-bromohexyl)-3-(oxan-2-yl)propanamide
CID 107847530
N-[2-(2-hydroxyethoxy)ethyl]oxane-2-carboxamide
CID 62498272
N-(6-iodohexyl)-3-(oxan-2-yl)propanamide
CID 107848186
N-(5-chloropentyl)-3-(oxan-2-yl)propanamide
CID 107321014
methyl 6-[3-(oxan-2-yl)propanoylamino]hexanoate
CID 63939050
N-(4-amino-4-sulfanylidenebutyl)-3-(oxan-2-yl)propanamide
CID 63952946
N-[2-(cycloheptylamino)ethyl]-3-[(2R)-oxolan-2-yl]propanamide
CID 124572050

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethoxy)ethyl]-3-(oxan-2-yl)propanamide?
The IUPAC name of N-[2-(2-hydroxyethoxy)ethyl]-3-(oxan-2-yl)propanamide (CID 63953367) is N-[2-(2-hydroxyethoxy)ethyl]-3-(oxan-2-yl)propanamide.
What is the SMILES notation for N-[2-(2-hydroxyethoxy)ethyl]-3-(oxan-2-yl)propanamide?
The canonical SMILES for N-[2-(2-hydroxyethoxy)ethyl]-3-(oxan-2-yl)propanamide is O=C(CCC1CCCCO1)NCCOCCO.
What is the InChIKey of N-[2-(2-hydroxyethoxy)ethyl]-3-(oxan-2-yl)propanamide?
The InChIKey is XDLQMEBJOLTGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4/c14-7-10-16-9-6-13-12(15)5-4-11-3-1-2-8-17-11/h11,14H,1-10H2,(H,13,15).
What are the key properties of N-[2-(2-hydroxyethoxy)ethyl]-3-(oxan-2-yl)propanamide?
N-[2-(2-hydroxyethoxy)ethyl]-3-(oxan-2-yl)propanamide has a molecular weight of 245.32 g/mol, XLogP of 0.46, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethoxy)ethyl]-3-(oxan-2-yl)propanamide is sourced from PubChem (CID 63953367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).