3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(4-methylmorpholin-2-yl)ethyl]propanamide

C16H31N3O3 — CID 56718756

IUPAC3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(4-methylmorpholin-2-yl)ethyl]propanamide
SMILESC[C@@H]1CN(CCC(=O)NCCC2CN(C)CCO2)C[C@H](C)O1
InChIInChI=1S/C16H31N3O3/c1-13-10-19(11-14(2)22-13)7-5-16(20)17-6-4-15-12-18(3)8-9-21-15/h13-15H,4-12H2,1-3H3,(H,17,20)/t13-,14+,15?
InChIKeyVJENAROFBRTPNC-YIONKMFJSA-N
MW313.44 g/mol
LogP0.32
Rot. Bonds6

About 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(4-methylmorpholin-2-yl)ethyl]propanamide

3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(4-methylmorpholin-2-yl)ethyl]propanamide (PubChem CID 56718756) has the molecular formula C16H31N3O3 and a molecular weight of 313.44 g/mol. Its IUPAC name is 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(4-methylmorpholin-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(4-methylmorpholin-2-yl)ethyl]propanamide
PubChem CID56718756
Molecular FormulaC16H31N3O3
Molecular Weight313.44 g/mol
Exact Mass313.24
IUPAC Name3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(4-methylmorpholin-2-yl)ethyl]propanamide
SMILESC[C@@H]1CN(CCC(=O)NCCC2CN(C)CCO2)C[C@H](C)O1
InChIInChI=1S/C16H31N3O3/c1-13-10-19(11-14(2)22-13)7-5-16(20)17-6-4-15-12-18(3)8-9-21-15/h13-15H,4-12H2,1-3H3,(H,17,20)/t13-,14+,15?
InChIKeyVJENAROFBRTPNC-YIONKMFJSA-N
XLogP0.32
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-Methylmorpholin-2-yl)-morpholin-4-ylmethanone
CID 73439624
N-[2-(4-methylmorpholin-2-yl)ethyl]-3-(1,2-oxazinan-2-yl)propanamide
CID 56717274
4-ethyl-N-(2-methoxyethyl)morpholine-2-carboxamide
CID 72121023
3-(2,6-dimethylmorpholin-4-yl)-N-[2-(4-methylmorpholin-2-yl)ethyl]propanamide
CID 76406343
N-(3-morpholin-4-ylpropyl)-3-oxobutanamide
CID 5059958
N-(2-morpholin-2-ylethyl)acetamide
CID 10035058
3-Amino-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
CID 16784840
3-(Methylamino)-1-morpholinopropan-1-one
CID 18988030
N-(1-morpholin-2-ylethyl)propanamide
CID 20543318
Morpholine;1-morpholin-4-ylpropan-1-one
CID 21241937
1-[2-(Aminomethyl)morpholin-4-yl]propan-1-one
CID 24262565
3-Morpholin-4-yl-1-piperazin-1-ylpropan-1-one
CID 28279525

Frequently Asked Questions

What is the IUPAC name of 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(4-methylmorpholin-2-yl)ethyl]propanamide?
The IUPAC name of 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(4-methylmorpholin-2-yl)ethyl]propanamide (CID 56718756) is 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(4-methylmorpholin-2-yl)ethyl]propanamide.
What is the SMILES notation for 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(4-methylmorpholin-2-yl)ethyl]propanamide?
The canonical SMILES for 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(4-methylmorpholin-2-yl)ethyl]propanamide is C[C@@H]1CN(CCC(=O)NCCC2CN(C)CCO2)C[C@H](C)O1.
What is the InChIKey of 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(4-methylmorpholin-2-yl)ethyl]propanamide?
The InChIKey is VJENAROFBRTPNC-YIONKMFJSA-N. The full InChI is InChI=1S/C16H31N3O3/c1-13-10-19(11-14(2)22-13)7-5-16(20)17-6-4-15-12-18(3)8-9-21-15/h13-15H,4-12H2,1-3H3,(H,17,20)/t13-,14+,15?.
What are the key properties of 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(4-methylmorpholin-2-yl)ethyl]propanamide?
3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(4-methylmorpholin-2-yl)ethyl]propanamide has a molecular weight of 313.44 g/mol, XLogP of 0.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(4-methylmorpholin-2-yl)ethyl]propanamide is sourced from PubChem (CID 56718756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).