N-(2,5-dimethoxyphenyl)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propanamide

C17H26N2O4 — CID 739992

IUPACN-(2,5-dimethoxyphenyl)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propanamide
SMILESCOc1ccc(OC)c(NC(=O)CCN2C[C@@H](C)O[C@H](C)C2)c1
InChIInChI=1S/C17H26N2O4/c1-12-10-19(11-13(2)23-12)8-7-17(20)18-15-9-14(21-3)5-6-16(15)22-4/h5-6,9,12-13H,7-8,10-11H2,1-4H3,(H,18,20)/t12-,13-/m1/s1
InChIKeyCTQFAGNULPMKDP-CHWSQXEVSA-N
MW322.41 g/mol
LogP2.14
Rot. Bonds6

About N-(2,5-dimethoxyphenyl)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propanamide

N-(2,5-dimethoxyphenyl)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propanamide (PubChem CID 739992) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propanamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propanamide
PubChem CID739992
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC NameN-(2,5-dimethoxyphenyl)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propanamide
SMILESCOc1ccc(OC)c(NC(=O)CCN2C[C@@H](C)O[C@H](C)C2)c1
InChIInChI=1S/C17H26N2O4/c1-12-10-19(11-13(2)23-12)8-7-17(20)18-15-9-14(21-3)5-6-16(15)22-4/h5-6,9,12-13H,7-8,10-11H2,1-4H3,(H,18,20)/t12-,13-/m1/s1
InChIKeyCTQFAGNULPMKDP-CHWSQXEVSA-N
XLogP2.14
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-dimethoxyphenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]acetamide
CID 2653031
N-(5-chloro-2-methoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)propanamide
CID 51302513
3-(2,6-dimethylmorpholin-4-yl)-N-(2-methoxy-5-methylphenyl)propanamide chloride
CID 53350774
N-(2,5-dimethoxyphenyl)-3-(3-pyridin-2-ylazetidin-1-yl)propanamide
CID 91843290
3-(4-acetylpiperazin-1-yl)-N-(2,5-dimethoxyphenyl)propanamide
CID 109018366
N,N'-bis(2,5-dimethoxyphenyl)butanediamide
CID 1011774
1-(2,5-dimethoxyphenyl)-2-[3-(2,6-dimethylmorpholin-4-yl)propyl]guanidine;hydroiodide
CID 111040720
N-(2,5-dimethoxyphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 109033777
N-(5-chloro-2-methoxyphenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]acetamide
CID 2088175
N-(2,5-dimethoxyphenyl)-3-pyrrol-1-ylpropanamide
CID 3241935
4-[3-(2,6-dimethylmorpholin-4-yl)propanoylamino]-N-(2-methoxyphenyl)benzamide
CID 46682622
N-(2,4-dimethoxyphenyl)-3-morpholin-4-ylpropanamide
CID 772656

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propanamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propanamide (CID 739992) is N-(2,5-dimethoxyphenyl)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propanamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propanamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propanamide is COc1ccc(OC)c(NC(=O)CCN2C[C@@H](C)O[C@H](C)C2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propanamide?
The InChIKey is CTQFAGNULPMKDP-CHWSQXEVSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-12-10-19(11-13(2)23-12)8-7-17(20)18-15-9-14(21-3)5-6-16(15)22-4/h5-6,9,12-13H,7-8,10-11H2,1-4H3,(H,18,20)/t12-,13-/m1/s1.
What are the key properties of N-(2,5-dimethoxyphenyl)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propanamide?
N-(2,5-dimethoxyphenyl)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propanamide has a molecular weight of 322.41 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propanamide is sourced from PubChem (CID 739992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).