N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide

C14H25N3O2 — CID 102891587

IUPACN-ethyl-N-[2-(ethylamino)-2-oxoethyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
SMILESCCNC(=O)CN(CC)C(=O)C1NCC2CCCC21
InChIInChI=1S/C14H25N3O2/c1-3-15-12(18)9-17(4-2)14(19)13-11-7-5-6-10(11)8-16-13/h10-11,13,16H,3-9H2,1-2H3,(H,15,18)
InChIKeyKHFDQURUGMFVMD-UHFFFAOYSA-N
MW267.37 g/mol
LogP0.36
Rot. Bonds5

About N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide

N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide (PubChem CID 102891587) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[2-(ethylamino)-2-oxoethyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
PubChem CID102891587
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC NameN-ethyl-N-[2-(ethylamino)-2-oxoethyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
SMILESCCNC(=O)CN(CC)C(=O)C1NCC2CCCC21
InChIInChI=1S/C14H25N3O2/c1-3-15-12(18)9-17(4-2)14(19)13-11-7-5-6-10(11)8-16-13/h10-11,13,16H,3-9H2,1-2H3,(H,15,18)
InChIKeyKHFDQURUGMFVMD-UHFFFAOYSA-N
XLogP0.36
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
The IUPAC name of N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide (CID 102891587) is N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide.
What is the SMILES notation for N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
The canonical SMILES for N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide is CCNC(=O)CN(CC)C(=O)C1NCC2CCCC21.
What is the InChIKey of N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
The InChIKey is KHFDQURUGMFVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-3-15-12(18)9-17(4-2)14(19)13-11-7-5-6-10(11)8-16-13/h10-11,13,16H,3-9H2,1-2H3,(H,15,18).
What are the key properties of N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide has a molecular weight of 267.37 g/mol, XLogP of 0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide is sourced from PubChem (CID 102891587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).