2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(2-methoxyethyl)propanamide

C14H27N3O2 — CID 66209506

IUPAC2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(2-methoxyethyl)propanamide
SMILESCCC1C2CNCC2CN1C(C)C(=O)NCCOC
InChIInChI=1S/C14H27N3O2/c1-4-13-12-8-15-7-11(12)9-17(13)10(2)14(18)16-5-6-19-3/h10-13,15H,4-9H2,1-3H3,(H,16,18)
InChIKeyBDUXZNICMJBGRN-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.07
Rot. Bonds6

About 2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(2-methoxyethyl)propanamide

2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(2-methoxyethyl)propanamide (PubChem CID 66209506) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(2-methoxyethyl)propanamide
PubChem CID66209506
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(2-methoxyethyl)propanamide
SMILESCCC1C2CNCC2CN1C(C)C(=O)NCCOC
InChIInChI=1S/C14H27N3O2/c1-4-13-12-8-15-7-11(12)9-17(13)10(2)14(18)16-5-6-19-3/h10-13,15H,4-9H2,1-3H3,(H,16,18)
InChIKeyBDUXZNICMJBGRN-UHFFFAOYSA-N
XLogP0.07
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(2-methoxyethyl)propanamide with MolForge

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Related Compounds

2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-pentylpropanamide
CID 66210282
2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propanoic acid
CID 66210280
N-butan-2-yl-2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propanamide
CID 66209518
methyl 3-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)butanoate
CID 66209333
ethyl 3-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)butanoate
CID 66209139
ethyl 2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pentanoate
CID 83049959
5-(1-cyclopropylethyl)-4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66210236
4-ethyl-5-(2-methoxy-1-phenylethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 103465101
2-[2-(aminomethyl)-5-methylmorpholin-4-yl]-N-(2-methoxyethyl)propanamide
CID 81218040
N-(2-methoxyethyl)-2-(3-piperazin-1-ylazetidin-1-yl)propanamide
CID 66196942
4-ethyl-5-(3-methoxypropylsulfonyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66210467
2-(azetidin-3-yloxy)-N-(2-methoxyethyl)propanamide
CID 63106262

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(2-methoxyethyl)propanamide?
The IUPAC name of 2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(2-methoxyethyl)propanamide (CID 66209506) is 2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(2-methoxyethyl)propanamide is CCC1C2CNCC2CN1C(C)C(=O)NCCOC.
What is the InChIKey of 2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(2-methoxyethyl)propanamide?
The InChIKey is BDUXZNICMJBGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-4-13-12-8-15-7-11(12)9-17(13)10(2)14(18)16-5-6-19-3/h10-13,15H,4-9H2,1-3H3,(H,16,18).
What are the key properties of 2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(2-methoxyethyl)propanamide?
2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(2-methoxyethyl)propanamide has a molecular weight of 269.39 g/mol, XLogP of 0.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 66209506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).