N-[2-[acetyl(propyl)amino]ethyl]oxane-4-carboxamide

C13H24N2O3 — CID 113051902

IUPACN-[2-[acetyl(propyl)amino]ethyl]oxane-4-carboxamide
SMILESCCCN(CCNC(=O)C1CCOCC1)C(C)=O
InChIInChI=1S/C13H24N2O3/c1-3-7-15(11(2)16)8-6-14-13(17)12-4-9-18-10-5-12/h12H,3-10H2,1-2H3,(H,14,17)
InChIKeyQGXHTYZUKRKSAD-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.79
Rot. Bonds6

About N-[2-[acetyl(propyl)amino]ethyl]oxane-4-carboxamide

N-[2-[acetyl(propyl)amino]ethyl]oxane-4-carboxamide (PubChem CID 113051902) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-[2-[acetyl(propyl)amino]ethyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[2-[acetyl(propyl)amino]ethyl]oxane-4-carboxamide
PubChem CID113051902
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC NameN-[2-[acetyl(propyl)amino]ethyl]oxane-4-carboxamide
SMILESCCCN(CCNC(=O)C1CCOCC1)C(C)=O
InChIInChI=1S/C13H24N2O3/c1-3-7-15(11(2)16)8-6-14-13(17)12-4-9-18-10-5-12/h12H,3-10H2,1-2H3,(H,14,17)
InChIKeyQGXHTYZUKRKSAD-UHFFFAOYSA-N
XLogP0.79
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[acetyl(cyclopropyl)amino]ethyl]oxane-4-carboxamide
CID 113052174
N-[2-[acetyl(tert-butyl)amino]ethyl]oxane-4-carboxamide
CID 113056620
N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]oxane-4-carboxamide
CID 113065636
N-[2-(N-acetyl-4-bromoanilino)ethyl]oxane-4-carboxamide
CID 113060376
N-[2-(N-acetyl-2,6-difluoroanilino)ethyl]oxane-4-carboxamide
CID 113064554
N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]oxane-4-carboxamide
CID 113068065
N-(3-methylbutyl)oxane-4-carboxamide
CID 51110017
N-(2-hydroxyethyl)-N-propyloxane-4-carboxamide
CID 60670853
N-[2-[acetyl(cyclohexyl)amino]ethyl]cyclopropanecarboxamide
CID 113052903
N-[2-(N-acetyl-2-chloro-4,6-dimethylanilino)ethyl]oxane-4-carboxamide
CID 113060185
N-(4-bromobutyl)oxane-4-carboxamide
CID 106845809
N-[3-[2-(dimethylamino)ethyl-propylamino]-3-oxopropyl]cyclopentanecarboxamide
CID 71884631

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl(propyl)amino]ethyl]oxane-4-carboxamide?
The IUPAC name of N-[2-[acetyl(propyl)amino]ethyl]oxane-4-carboxamide (CID 113051902) is N-[2-[acetyl(propyl)amino]ethyl]oxane-4-carboxamide.
What is the SMILES notation for N-[2-[acetyl(propyl)amino]ethyl]oxane-4-carboxamide?
The canonical SMILES for N-[2-[acetyl(propyl)amino]ethyl]oxane-4-carboxamide is CCCN(CCNC(=O)C1CCOCC1)C(C)=O.
What is the InChIKey of N-[2-[acetyl(propyl)amino]ethyl]oxane-4-carboxamide?
The InChIKey is QGXHTYZUKRKSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-3-7-15(11(2)16)8-6-14-13(17)12-4-9-18-10-5-12/h12H,3-10H2,1-2H3,(H,14,17).
What are the key properties of N-[2-[acetyl(propyl)amino]ethyl]oxane-4-carboxamide?
N-[2-[acetyl(propyl)amino]ethyl]oxane-4-carboxamide has a molecular weight of 256.35 g/mol, XLogP of 0.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl(propyl)amino]ethyl]oxane-4-carboxamide is sourced from PubChem (CID 113051902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).