(3R)-1-ethyl-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-5-oxopyrrolidine-3-carboxamide

C20H28N2O3 — CID 97123369

IUPAC(3R)-1-ethyl-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCN1C[C@H](C(=O)NCC2(c3ccc(OC)cc3)CCCC2)CC1=O
InChIInChI=1S/C20H28N2O3/c1-3-22-13-15(12-18(22)23)19(24)21-14-20(10-4-5-11-20)16-6-8-17(25-2)9-7-16/h6-9,15H,3-5,10-14H2,1-2H3,(H,21,24)/t15-/m1/s1
InChIKeyBUXDOYXMBRXTPO-OAHLLOKOSA-N
MW344.46 g/mol
LogP2.49
Rot. Bonds6

About (3R)-1-ethyl-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-5-oxopyrrolidine-3-carboxamide

(3R)-1-ethyl-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 97123369) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is (3R)-1-ethyl-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-ethyl-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID97123369
Molecular FormulaC20H28N2O3
Molecular Weight344.46 g/mol
Exact Mass344.21
IUPAC Name(3R)-1-ethyl-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCN1C[C@H](C(=O)NCC2(c3ccc(OC)cc3)CCCC2)CC1=O
InChIInChI=1S/C20H28N2O3/c1-3-22-13-15(12-18(22)23)19(24)21-14-20(10-4-5-11-20)16-6-8-17(25-2)9-7-16/h6-9,15H,3-5,10-14H2,1-2H3,(H,21,24)/t15-/m1/s1
InChIKeyBUXDOYXMBRXTPO-OAHLLOKOSA-N
XLogP2.49
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxyethyl)-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-6-oxopiperidine-3-carboxamide
CID 45239522
N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]-1,1-dioxothiolane-3-carboxamide
CID 47921881
(1R,3R,4S)-4-hydroxy-3-methoxy-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]cyclohexane-1-carboxamide
CID 135113473
(3S)-1-(2-methylpropyl)-5-oxo-N-[(1-phenylcyclobutyl)methyl]pyrrolidine-3-carboxamide
CID 51936826
1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-N-[(1-phenylcyclobutyl)methyl]pyrrolidine-3-carboxamide
CID 55518785
N-[[1-(4-methoxyphenyl)cyclobutyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide
CID 127832089
3-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-1-methyl-1-[[(3S)-1-methyl-5-oxopyrrolidin-3-yl]methyl]urea
CID 126451957
1-ethyl-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 65119183
(2S,5R)-5-(aminomethyl)-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]oxolane-2-carboxamide
CID 120789842
1-ethyl-N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 46972068
1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 65119011
methyl 2-[[(3R)-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]acetate
CID 95293242

Frequently Asked Questions

What is the IUPAC name of (3R)-1-ethyl-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-ethyl-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-5-oxopyrrolidine-3-carboxamide (CID 97123369) is (3R)-1-ethyl-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-ethyl-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-ethyl-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-5-oxopyrrolidine-3-carboxamide is CCN1C[C@H](C(=O)NCC2(c3ccc(OC)cc3)CCCC2)CC1=O.
What is the InChIKey of (3R)-1-ethyl-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is BUXDOYXMBRXTPO-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-3-22-13-15(12-18(22)23)19(24)21-14-20(10-4-5-11-20)16-6-8-17(25-2)9-7-16/h6-9,15H,3-5,10-14H2,1-2H3,(H,21,24)/t15-/m1/s1.
What are the key properties of (3R)-1-ethyl-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-5-oxopyrrolidine-3-carboxamide?
(3R)-1-ethyl-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-ethyl-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 97123369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).