3-[[2-[(3S)-3-ethyl-3-methylmorpholin-4-yl]acetyl]amino]-N,N-dimethylbenzamide

C18H27N3O3 — CID 124846408

IUPAC3-[[2-[(3S)-3-ethyl-3-methylmorpholin-4-yl]acetyl]amino]-N,N-dimethylbenzamide
SMILESCC[C@@]1(C)COCCN1CC(=O)Nc1cccc(C(=O)N(C)C)c1
InChIInChI=1S/C18H27N3O3/c1-5-18(2)13-24-10-9-21(18)12-16(22)19-15-8-6-7-14(11-15)17(23)20(3)4/h6-8,11H,5,9-10,12-13H2,1-4H3,(H,19,22)/t18-/m0/s1
InChIKeyISRYWMCAZWQLJZ-SFHVURJKSA-N
MW333.43 g/mol
LogP1.83
Rot. Bonds5

About 3-[[2-[(3S)-3-ethyl-3-methylmorpholin-4-yl]acetyl]amino]-N,N-dimethylbenzamide

3-[[2-[(3S)-3-ethyl-3-methylmorpholin-4-yl]acetyl]amino]-N,N-dimethylbenzamide (PubChem CID 124846408) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 3-[[2-[(3S)-3-ethyl-3-methylmorpholin-4-yl]acetyl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[[2-[(3S)-3-ethyl-3-methylmorpholin-4-yl]acetyl]amino]-N,N-dimethylbenzamide
PubChem CID124846408
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name3-[[2-[(3S)-3-ethyl-3-methylmorpholin-4-yl]acetyl]amino]-N,N-dimethylbenzamide
SMILESCC[C@@]1(C)COCCN1CC(=O)Nc1cccc(C(=O)N(C)C)c1
InChIInChI=1S/C18H27N3O3/c1-5-18(2)13-24-10-9-21(18)12-16(22)19-15-8-6-7-14(11-15)17(23)20(3)4/h6-8,11H,5,9-10,12-13H2,1-4H3,(H,19,22)/t18-/m0/s1
InChIKeyISRYWMCAZWQLJZ-SFHVURJKSA-N
XLogP1.83
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-[(3S)-3-ethyl-3-methylmorpholin-4-yl]acetyl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 3-[[2-[(3S)-3-ethyl-3-methylmorpholin-4-yl]acetyl]amino]-N,N-dimethylbenzamide (CID 124846408) is 3-[[2-[(3S)-3-ethyl-3-methylmorpholin-4-yl]acetyl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[[2-[(3S)-3-ethyl-3-methylmorpholin-4-yl]acetyl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[[2-[(3S)-3-ethyl-3-methylmorpholin-4-yl]acetyl]amino]-N,N-dimethylbenzamide is CC[C@@]1(C)COCCN1CC(=O)Nc1cccc(C(=O)N(C)C)c1.
What is the InChIKey of 3-[[2-[(3S)-3-ethyl-3-methylmorpholin-4-yl]acetyl]amino]-N,N-dimethylbenzamide?
The InChIKey is ISRYWMCAZWQLJZ-SFHVURJKSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-5-18(2)13-24-10-9-21(18)12-16(22)19-15-8-6-7-14(11-15)17(23)20(3)4/h6-8,11H,5,9-10,12-13H2,1-4H3,(H,19,22)/t18-/m0/s1.
What are the key properties of 3-[[2-[(3S)-3-ethyl-3-methylmorpholin-4-yl]acetyl]amino]-N,N-dimethylbenzamide?
3-[[2-[(3S)-3-ethyl-3-methylmorpholin-4-yl]acetyl]amino]-N,N-dimethylbenzamide has a molecular weight of 333.43 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[(3S)-3-ethyl-3-methylmorpholin-4-yl]acetyl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 124846408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).