4-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]oxane-4-carboxamide

C12H25N3O3 — CID 113280761

IUPAC4-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]oxane-4-carboxamide
SMILESCOCCN(C)CCNC(=O)C1(N)CCOCC1
InChIInChI=1S/C12H25N3O3/c1-15(7-10-17-2)6-5-14-11(16)12(13)3-8-18-9-4-12/h3-10,13H2,1-2H3,(H,14,16)
InChIKeyAJASZNUIEVLGAE-UHFFFAOYSA-N
MW259.35 g/mol
LogP-0.81
Rot. Bonds7

About 4-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]oxane-4-carboxamide

4-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]oxane-4-carboxamide (PubChem CID 113280761) has the molecular formula C12H25N3O3 and a molecular weight of 259.35 g/mol. Its IUPAC name is 4-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]oxane-4-carboxamide
PubChem CID113280761
Molecular FormulaC12H25N3O3
Molecular Weight259.35 g/mol
Exact Mass259.19
IUPAC Name4-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]oxane-4-carboxamide
SMILESCOCCN(C)CCNC(=O)C1(N)CCOCC1
InChIInChI=1S/C12H25N3O3/c1-15(7-10-17-2)6-5-14-11(16)12(13)3-8-18-9-4-12/h3-10,13H2,1-2H3,(H,14,16)
InChIKeyAJASZNUIEVLGAE-UHFFFAOYSA-N
XLogP-0.81
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(2-methoxyethyl)-1-[4-(methylcarbamoyl)oxan-4-yl]pyrrolidine-2-carboxamide
CID 75411531
2-methyl-N-[[4-(2-methylbutanoylamino)oxan-4-yl]methyl]butanamide
CID 56790354
4-(propan-2-ylamino)-N-(1,1,1-trifluoropropan-2-yl)oxane-4-carboxamide
CID 146476352
4-amino-N-ethyl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide
CID 113280725
4-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxane-4-carboxamide
CID 113280795
4-amino-N-(4,4,4-trifluorobutyl)oxane-4-carboxamide
CID 113327474
4-amino-N-(5,5,5-trifluoropentyl)oxane-4-carboxamide
CID 113327534
4-amino-N-[2-(2,2-difluoroethoxy)ethyl]oxane-4-carboxamide
CID 114127402
4-amino-N-(4,4,4-trifluorobutan-2-yl)oxane-4-carboxamide
CID 114130838
4-amino-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide
CID 115293589
4-amino-N-methyl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide
CID 115294078
4-amino-N-butyl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide
CID 115294285

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]oxane-4-carboxamide?
The IUPAC name of 4-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]oxane-4-carboxamide (CID 113280761) is 4-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]oxane-4-carboxamide.
What is the SMILES notation for 4-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]oxane-4-carboxamide?
The canonical SMILES for 4-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]oxane-4-carboxamide is COCCN(C)CCNC(=O)C1(N)CCOCC1.
What is the InChIKey of 4-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]oxane-4-carboxamide?
The InChIKey is AJASZNUIEVLGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O3/c1-15(7-10-17-2)6-5-14-11(16)12(13)3-8-18-9-4-12/h3-10,13H2,1-2H3,(H,14,16).
What are the key properties of 4-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]oxane-4-carboxamide?
4-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]oxane-4-carboxamide has a molecular weight of 259.35 g/mol, XLogP of -0.81, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]oxane-4-carboxamide is sourced from PubChem (CID 113280761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).