N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-[(2R)-2-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]acetamide

C23H37N3O4 — CID 124822720

IUPACN-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-[(2R)-2-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]acetamide
SMILESCOc1ccc(OC)c([C@H](C)NC(=O)CN2CCC[C@@H]2CN2C[C@H](C)O[C@@H](C)C2)c1
InChIInChI=1S/C23H37N3O4/c1-16-12-25(13-17(2)30-16)14-19-7-6-10-26(19)15-23(27)24-18(3)21-11-20(28-4)8-9-22(21)29-5/h8-9,11,16-19H,6-7,10,12-15H2,1-5H3,(H,24,27)/t16-,17-,18-,19+/m0/s1
InChIKeyAXQSCQPXECAXDX-CADBVGFASA-N
MW419.57 g/mol
LogP2.45
Rot. Bonds8

About N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-[(2R)-2-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]acetamide

N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-[(2R)-2-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]acetamide (PubChem CID 124822720) has the molecular formula C23H37N3O4 and a molecular weight of 419.57 g/mol. Its IUPAC name is N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-[(2R)-2-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-[(2R)-2-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]acetamide
PubChem CID124822720
Molecular FormulaC23H37N3O4
Molecular Weight419.57 g/mol
Exact Mass419.28
IUPAC NameN-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-[(2R)-2-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]acetamide
SMILESCOc1ccc(OC)c([C@H](C)NC(=O)CN2CCC[C@@H]2CN2C[C@H](C)O[C@@H](C)C2)c1
InChIInChI=1S/C23H37N3O4/c1-16-12-25(13-17(2)30-16)14-19-7-6-10-26(19)15-23(27)24-18(3)21-11-20(28-4)8-9-22(21)29-5/h8-9,11,16-19H,6-7,10,12-15H2,1-5H3,(H,24,27)/t16-,17-,18-,19+/m0/s1
InChIKeyAXQSCQPXECAXDX-CADBVGFASA-N
XLogP2.45
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.57
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(2-ethylpiperidin-1-yl)acetamide
CID 51224634
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]acetamide
CID 71845058
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]acetamide
CID 55827984
2-[(2S)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 124834625
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
CID 95311777
2-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-[(1S)-1-(2-methylphenyl)ethyl]acetamide
CID 26546536
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 51683410
N-cyclopropyl-2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]acetamide
CID 56799450
N-cyclopropyl-2-[(2S)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]acetamide
CID 95171694
N-[1-(2,4-dimethoxyphenyl)ethyl]-2-(4-methylpiperidin-1-yl)acetamide
CID 78870898
2-cyclohexylsulfanyl-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 60608736
ethyl 3-[1-(2,5-dimethoxyphenyl)ethylcarbamoyl]piperidine-1-carboxylate
CID 43057044

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-[(2R)-2-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]acetamide?
The IUPAC name of N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-[(2R)-2-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]acetamide (CID 124822720) is N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-[(2R)-2-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-[(2R)-2-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-[(2R)-2-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]acetamide is COc1ccc(OC)c([C@H](C)NC(=O)CN2CCC[C@@H]2CN2C[C@H](C)O[C@@H](C)C2)c1.
What is the InChIKey of N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-[(2R)-2-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]acetamide?
The InChIKey is AXQSCQPXECAXDX-CADBVGFASA-N. The full InChI is InChI=1S/C23H37N3O4/c1-16-12-25(13-17(2)30-16)14-19-7-6-10-26(19)15-23(27)24-18(3)21-11-20(28-4)8-9-22(21)29-5/h8-9,11,16-19H,6-7,10,12-15H2,1-5H3,(H,24,27)/t16-,17-,18-,19+/m0/s1.
What are the key properties of N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-[(2R)-2-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]acetamide?
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-[(2R)-2-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]acetamide has a molecular weight of 419.57 g/mol, XLogP of 2.45, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-[(2R)-2-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 124822720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).