4-amino-N-[(4-methylmorpholin-2-yl)methyl]oxane-4-carboxamide

C12H23N3O3 — CID 115295108

IUPAC4-amino-N-[(4-methylmorpholin-2-yl)methyl]oxane-4-carboxamide
SMILESCN1CCOC(CNC(=O)C2(N)CCOCC2)C1
InChIInChI=1S/C12H23N3O3/c1-15-4-7-18-10(9-15)8-14-11(16)12(13)2-5-17-6-3-12/h10H,2-9,13H2,1H3,(H,14,16)
InChIKeyBBYDXFXIWCORIY-UHFFFAOYSA-N
MW257.33 g/mol
LogP-1.06
Rot. Bonds3

About 4-amino-N-[(4-methylmorpholin-2-yl)methyl]oxane-4-carboxamide

4-amino-N-[(4-methylmorpholin-2-yl)methyl]oxane-4-carboxamide (PubChem CID 115295108) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 4-amino-N-[(4-methylmorpholin-2-yl)methyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(4-methylmorpholin-2-yl)methyl]oxane-4-carboxamide
PubChem CID115295108
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name4-amino-N-[(4-methylmorpholin-2-yl)methyl]oxane-4-carboxamide
SMILESCN1CCOC(CNC(=O)C2(N)CCOCC2)C1
InChIInChI=1S/C12H23N3O3/c1-15-4-7-18-10(9-15)8-14-11(16)12(13)2-5-17-6-3-12/h10H,2-9,13H2,1H3,(H,14,16)
InChIKeyBBYDXFXIWCORIY-UHFFFAOYSA-N
XLogP-1.06
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 5-1.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-amino-N-[(4-methylmorpholin-2-yl)methyl]cyclopentane-1-carboxamide
CID 79082482
1-[(4-methylmorpholin-2-yl)methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 79070971
1-amino-3-methyl-N-[(4-methylmorpholin-2-yl)methyl]cyclohexane-1-carboxamide
CID 79081951
N-[(4-methylmorpholin-2-yl)methyl]acetamide
CID 69087754
N-[[(2S)-4-methylmorpholin-2-yl]methyl]acetamide
CID 170608678
methyl 2-[(4-methylmorpholin-2-yl)methylamino]-2-oxoacetate
CID 112617409
1-(methoxymethyl)-N-[(4-methylmorpholin-2-yl)methyl]cyclobutane-1-carboxamide
CID 122566549
2-methyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]propanamide
CID 153398973
1-amino-N-[(1-methylpyrrolidin-3-yl)methyl]cyclopropane-1-carboxamide
CID 65465734
N-[(4-methylmorpholin-2-yl)methyl]-1-phenylcyclobutane-1-carboxamide
CID 49094024
4-amino-N-[(4-methylmorpholin-2-yl)methyl]cyclohexane-1-carboxamide
CID 79081947
2-amino-N-[2-[(4-methylmorpholin-2-yl)methylamino]-2-oxoethyl]acetamide
CID 79082878

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(4-methylmorpholin-2-yl)methyl]oxane-4-carboxamide?
The IUPAC name of 4-amino-N-[(4-methylmorpholin-2-yl)methyl]oxane-4-carboxamide (CID 115295108) is 4-amino-N-[(4-methylmorpholin-2-yl)methyl]oxane-4-carboxamide.
What is the SMILES notation for 4-amino-N-[(4-methylmorpholin-2-yl)methyl]oxane-4-carboxamide?
The canonical SMILES for 4-amino-N-[(4-methylmorpholin-2-yl)methyl]oxane-4-carboxamide is CN1CCOC(CNC(=O)C2(N)CCOCC2)C1.
What is the InChIKey of 4-amino-N-[(4-methylmorpholin-2-yl)methyl]oxane-4-carboxamide?
The InChIKey is BBYDXFXIWCORIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-15-4-7-18-10(9-15)8-14-11(16)12(13)2-5-17-6-3-12/h10H,2-9,13H2,1H3,(H,14,16).
What are the key properties of 4-amino-N-[(4-methylmorpholin-2-yl)methyl]oxane-4-carboxamide?
4-amino-N-[(4-methylmorpholin-2-yl)methyl]oxane-4-carboxamide has a molecular weight of 257.33 g/mol, XLogP of -1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(4-methylmorpholin-2-yl)methyl]oxane-4-carboxamide is sourced from PubChem (CID 115295108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).