N-[3-(2-methoxyethylamino)-3-oxopropyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide

C14H25N3O3 — CID 102893686

IUPACN-[3-(2-methoxyethylamino)-3-oxopropyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
SMILESCOCCNC(=O)CCNC(=O)C1NCC2CCCC21
InChIInChI=1S/C14H25N3O3/c1-20-8-7-15-12(18)5-6-16-14(19)13-11-4-2-3-10(11)9-17-13/h10-11,13,17H,2-9H2,1H3,(H,15,18)(H,16,19)
InChIKeyAPCNBEVTMWICAF-UHFFFAOYSA-N
MW283.37 g/mol
LogP-0.36
Rot. Bonds7

About N-[3-(2-methoxyethylamino)-3-oxopropyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide

N-[3-(2-methoxyethylamino)-3-oxopropyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide (PubChem CID 102893686) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-[3-(2-methoxyethylamino)-3-oxopropyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2-methoxyethylamino)-3-oxopropyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
PubChem CID102893686
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC NameN-[3-(2-methoxyethylamino)-3-oxopropyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
SMILESCOCCNC(=O)CCNC(=O)C1NCC2CCCC21
InChIInChI=1S/C14H25N3O3/c1-20-8-7-15-12(18)5-6-16-14(19)13-11-4-2-3-10(11)9-17-13/h10-11,13,17H,2-9H2,1H3,(H,15,18)(H,16,19)
InChIKeyAPCNBEVTMWICAF-UHFFFAOYSA-N
XLogP-0.36
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyethylamino)-3-oxopropyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
The IUPAC name of N-[3-(2-methoxyethylamino)-3-oxopropyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide (CID 102893686) is N-[3-(2-methoxyethylamino)-3-oxopropyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide.
What is the SMILES notation for N-[3-(2-methoxyethylamino)-3-oxopropyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
The canonical SMILES for N-[3-(2-methoxyethylamino)-3-oxopropyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide is COCCNC(=O)CCNC(=O)C1NCC2CCCC21.
What is the InChIKey of N-[3-(2-methoxyethylamino)-3-oxopropyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
The InChIKey is APCNBEVTMWICAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-20-8-7-15-12(18)5-6-16-14(19)13-11-4-2-3-10(11)9-17-13/h10-11,13,17H,2-9H2,1H3,(H,15,18)(H,16,19).
What are the key properties of N-[3-(2-methoxyethylamino)-3-oxopropyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
N-[3-(2-methoxyethylamino)-3-oxopropyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide has a molecular weight of 283.37 g/mol, XLogP of -0.36, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyethylamino)-3-oxopropyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide is sourced from PubChem (CID 102893686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).