N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3-methylpyrrolidine-2-carboxamide

C12H23N3O2 — CID 102778482

IUPACN-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3-methylpyrrolidine-2-carboxamide
SMILESCCNC(=O)CN(CC)C(=O)C1NCCC1C
InChIInChI=1S/C12H23N3O2/c1-4-13-10(16)8-15(5-2)12(17)11-9(3)6-7-14-11/h9,11,14H,4-8H2,1-3H3,(H,13,16)
InChIKeyARHGHTPSHKTJLK-UHFFFAOYSA-N
MW241.33 g/mol
LogP-0.03
Rot. Bonds5

About N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3-methylpyrrolidine-2-carboxamide

N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3-methylpyrrolidine-2-carboxamide (PubChem CID 102778482) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3-methylpyrrolidine-2-carboxamide
PubChem CID102778482
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC NameN-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3-methylpyrrolidine-2-carboxamide
SMILESCCNC(=O)CN(CC)C(=O)C1NCCC1C
InChIInChI=1S/C12H23N3O2/c1-4-13-10(16)8-15(5-2)12(17)11-9(3)6-7-14-11/h9,11,14H,4-8H2,1-3H3,(H,13,16)
InChIKeyARHGHTPSHKTJLK-UHFFFAOYSA-N
XLogP-0.03
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-methyl-N-propylpyrrolidine-2-carboxamide
CID 102777244
(2S)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]piperidine-2-carboxamide
CID 93367971
N-ethyl-3-methyl-N-prop-2-ynylpyrrolidine-2-carboxamide
CID 102779892
N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylpyrrolidine-2-carboxamide
CID 102779702
N,3-dimethyl-N-[2-oxo-2-(propylamino)ethyl]pyrrolidine-2-carboxamide
CID 102778464
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102891587
N-[2-(ethylamino)-2-oxoethyl]-3-methylpyrrolidine-2-carboxamide
CID 102777393
N-ethyl-N-(2-methoxyethyl)-3-methylpyrrolidine-2-carboxamide
CID 102779207
N-[2-(dimethylamino)ethyl]-3-methyl-N-propylpyrrolidine-2-carboxamide
CID 102779290
N,N-bis(2-ethoxyethyl)-3-methylpyrrolidine-2-carboxamide
CID 102779936
2-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]cyclopentane-1-carboxamide
CID 64825146
ethyl 2-[2-methylpropyl-(3-methylpyrrolidine-2-carbonyl)amino]acetate
CID 102778708

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3-methylpyrrolidine-2-carboxamide?
The IUPAC name of N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3-methylpyrrolidine-2-carboxamide (CID 102778482) is N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3-methylpyrrolidine-2-carboxamide?
The canonical SMILES for N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3-methylpyrrolidine-2-carboxamide is CCNC(=O)CN(CC)C(=O)C1NCCC1C.
What is the InChIKey of N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3-methylpyrrolidine-2-carboxamide?
The InChIKey is ARHGHTPSHKTJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-4-13-10(16)8-15(5-2)12(17)11-9(3)6-7-14-11/h9,11,14H,4-8H2,1-3H3,(H,13,16).
What are the key properties of N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3-methylpyrrolidine-2-carboxamide?
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3-methylpyrrolidine-2-carboxamide has a molecular weight of 241.33 g/mol, XLogP of -0.03, 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]-3-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 102778482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).