N-ethyl-1-(2-ethylphenyl)-5-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrrolidine-3-carboxamide

C20H29N3O3 — CID 51157028

IUPACN-ethyl-1-(2-ethylphenyl)-5-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrrolidine-3-carboxamide
SMILESCCc1ccccc1N1CC(C(=O)N(CC)CC(=O)NC(C)C)CC1=O
InChIInChI=1S/C20H29N3O3/c1-5-15-9-7-8-10-17(15)23-12-16(11-19(23)25)20(26)22(6-2)13-18(24)21-14(3)4/h7-10,14,16H,5-6,11-13H2,1-4H3,(H,21,24)
InChIKeyAGZRVHIAAZJJCX-UHFFFAOYSA-N
MW359.47 g/mol
LogP1.98
Rot. Bonds7

About N-ethyl-1-(2-ethylphenyl)-5-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrrolidine-3-carboxamide

N-ethyl-1-(2-ethylphenyl)-5-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrrolidine-3-carboxamide (PubChem CID 51157028) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is N-ethyl-1-(2-ethylphenyl)-5-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-(2-ethylphenyl)-5-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrrolidine-3-carboxamide
PubChem CID51157028
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC NameN-ethyl-1-(2-ethylphenyl)-5-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrrolidine-3-carboxamide
SMILESCCc1ccccc1N1CC(C(=O)N(CC)CC(=O)NC(C)C)CC1=O
InChIInChI=1S/C20H29N3O3/c1-5-15-9-7-8-10-17(15)23-12-16(11-19(23)25)20(26)22(6-2)13-18(24)21-14(3)4/h7-10,14,16H,5-6,11-13H2,1-4H3,(H,21,24)
InChIKeyAGZRVHIAAZJJCX-UHFFFAOYSA-N
XLogP1.98
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-N-ethyl-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17120415
(3S)-N,N-diethyl-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9350860
2-[[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]-propan-2-ylamino]acetic acid
CID 119198514
(3R)-N-[(2R)-butan-2-yl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 27210673
N-[2-(tert-butylamino)-2-oxoethyl]-1-(2,3-dimethylphenyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 51156735
2-[[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methylbutanoic acid
CID 119136960
1-(2-ethoxyphenyl)-N,N-diethyl-5-oxopyrrolidine-3-carboxamide
CID 18886165
1-(2-ethylphenyl)-N-[2-(methylamino)propyl]-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 120827980
(3S)-N,N-diethyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 9350542
(3R)-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 40974799
N-butyl-1-(2-ethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 17120494
N-(2,6-diethylphenyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186319

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-ethylphenyl)-5-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-ethyl-1-(2-ethylphenyl)-5-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrrolidine-3-carboxamide (CID 51157028) is N-ethyl-1-(2-ethylphenyl)-5-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-ethyl-1-(2-ethylphenyl)-5-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-ethyl-1-(2-ethylphenyl)-5-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrrolidine-3-carboxamide is CCc1ccccc1N1CC(C(=O)N(CC)CC(=O)NC(C)C)CC1=O.
What is the InChIKey of N-ethyl-1-(2-ethylphenyl)-5-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrrolidine-3-carboxamide?
The InChIKey is AGZRVHIAAZJJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-5-15-9-7-8-10-17(15)23-12-16(11-19(23)25)20(26)22(6-2)13-18(24)21-14(3)4/h7-10,14,16H,5-6,11-13H2,1-4H3,(H,21,24).
What are the key properties of N-ethyl-1-(2-ethylphenyl)-5-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrrolidine-3-carboxamide?
N-ethyl-1-(2-ethylphenyl)-5-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrrolidine-3-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-ethylphenyl)-5-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 51157028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).