N-[[(3aS,4R,5S,6aR)-5-methyl-1-(2-morpholin-4-ylethyl)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-4-yl]methyl]-2-methoxyacetamide

C18H31N3O4 — CID 146118356

IUPACN-[[(3aS,4R,5S,6aR)-5-methyl-1-(2-morpholin-4-ylethyl)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-4-yl]methyl]-2-methoxyacetamide
SMILESCOCC(=O)NC[C@H]1[C@@H]2CC(=O)N(CCN3CCOCC3)[C@@H]2C[C@@H]1C
InChIInChI=1S/C18H31N3O4/c1-13-9-16-14(15(13)11-19-17(22)12-24-2)10-18(23)21(16)4-3-20-5-7-25-8-6-20/h13-16H,3-12H2,1-2H3,(H,19,22)/t13-,14-,15+,16+/m0/s1
InChIKeyXTDLQSHCCIQJMB-CAOSSQGBSA-N
MW353.46 g/mol
LogP-0.05
Rot. Bonds7

About N-[[(3aS,4R,5S,6aR)-5-methyl-1-(2-morpholin-4-ylethyl)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-4-yl]methyl]-2-methoxyacetamide

N-[[(3aS,4R,5S,6aR)-5-methyl-1-(2-morpholin-4-ylethyl)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-4-yl]methyl]-2-methoxyacetamide (PubChem CID 146118356) has the molecular formula C18H31N3O4 and a molecular weight of 353.46 g/mol. Its IUPAC name is N-[[(3aS,4R,5S,6aR)-5-methyl-1-(2-morpholin-4-ylethyl)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-4-yl]methyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[[(3aS,4R,5S,6aR)-5-methyl-1-(2-morpholin-4-ylethyl)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-4-yl]methyl]-2-methoxyacetamide
PubChem CID146118356
Molecular FormulaC18H31N3O4
Molecular Weight353.46 g/mol
Exact Mass353.23
IUPAC NameN-[[(3aS,4R,5S,6aR)-5-methyl-1-(2-morpholin-4-ylethyl)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-4-yl]methyl]-2-methoxyacetamide
SMILESCOCC(=O)NC[C@H]1[C@@H]2CC(=O)N(CCN3CCOCC3)[C@@H]2C[C@@H]1C
InChIInChI=1S/C18H31N3O4/c1-13-9-16-14(15(13)11-19-17(22)12-24-2)10-18(23)21(16)4-3-20-5-7-25-8-6-20/h13-16H,3-12H2,1-2H3,(H,19,22)/t13-,14-,15+,16+/m0/s1
InChIKeyXTDLQSHCCIQJMB-CAOSSQGBSA-N
XLogP-0.05
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[(3aS,4R,5S,6aR)-5-methyl-1-(2-morpholin-4-ylethyl)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-4-yl]methyl]-2-methoxyacetamide with MolForge

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Related Compounds

(3aS,4R,5S,6aR)-4-(aminomethyl)-5-methyl-1-(2-morpholin-4-ylethyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-2-one
CID 146118387
N-[[(3aS,4R,5S,6aR)-5-methyl-1-(2-morpholin-4-ylethyl)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-4-yl]methyl]benzenesulfonamide
CID 146118371
2-methoxy-N-[[5-(morpholin-4-ylmethyl)-1-azabicyclo[2.2.2]octan-2-yl]methyl]acetamide
CID 74579469
2-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 167962449
N-[(4-ethylmorpholin-2-yl)methyl]-2-methoxyacetamide
CID 115629823
2-(2-methoxyethoxy)-N-(3-morpholin-4-ylpropyl)acetamide
CID 103606858
(3aR,6aS)-4-(2-morpholin-4-ylethyl)-1-(1H-pyrrole-2-carbonyl)-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one
CID 97386335
(2R,3R)-2-(1-methylpyrazol-4-yl)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 95763632
(3aR,6aS)-1-[(5-ethylfuran-2-yl)methyl]-4-(2-morpholin-4-ylethyl)-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one
CID 124914004
1-[(5-ethylfuran-2-yl)methyl]-4-(2-morpholin-4-ylethyl)-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one
CID 134690460
N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide
CID 110689653
7-methyl-N-(3-morpholin-4-ylpropyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 66495563

Frequently Asked Questions

What is the IUPAC name of N-[[(3aS,4R,5S,6aR)-5-methyl-1-(2-morpholin-4-ylethyl)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-4-yl]methyl]-2-methoxyacetamide?
The IUPAC name of N-[[(3aS,4R,5S,6aR)-5-methyl-1-(2-morpholin-4-ylethyl)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-4-yl]methyl]-2-methoxyacetamide (CID 146118356) is N-[[(3aS,4R,5S,6aR)-5-methyl-1-(2-morpholin-4-ylethyl)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-4-yl]methyl]-2-methoxyacetamide.
What is the SMILES notation for N-[[(3aS,4R,5S,6aR)-5-methyl-1-(2-morpholin-4-ylethyl)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-4-yl]methyl]-2-methoxyacetamide?
The canonical SMILES for N-[[(3aS,4R,5S,6aR)-5-methyl-1-(2-morpholin-4-ylethyl)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-4-yl]methyl]-2-methoxyacetamide is COCC(=O)NC[C@H]1[C@@H]2CC(=O)N(CCN3CCOCC3)[C@@H]2C[C@@H]1C.
What is the InChIKey of N-[[(3aS,4R,5S,6aR)-5-methyl-1-(2-morpholin-4-ylethyl)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-4-yl]methyl]-2-methoxyacetamide?
The InChIKey is XTDLQSHCCIQJMB-CAOSSQGBSA-N. The full InChI is InChI=1S/C18H31N3O4/c1-13-9-16-14(15(13)11-19-17(22)12-24-2)10-18(23)21(16)4-3-20-5-7-25-8-6-20/h13-16H,3-12H2,1-2H3,(H,19,22)/t13-,14-,15+,16+/m0/s1.
What are the key properties of N-[[(3aS,4R,5S,6aR)-5-methyl-1-(2-morpholin-4-ylethyl)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-4-yl]methyl]-2-methoxyacetamide?
N-[[(3aS,4R,5S,6aR)-5-methyl-1-(2-morpholin-4-ylethyl)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-4-yl]methyl]-2-methoxyacetamide has a molecular weight of 353.46 g/mol, XLogP of -0.05, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3aS,4R,5S,6aR)-5-methyl-1-(2-morpholin-4-ylethyl)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-4-yl]methyl]-2-methoxyacetamide is sourced from PubChem (CID 146118356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).