N-(3-ethylphenyl)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-4-oxobutanamide

C18H26N2O3 — CID 50978943

IUPACN-(3-ethylphenyl)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-4-oxobutanamide
SMILESCCc1cccc(NC(=O)CCC(=O)N2CCC[C@H]2COC)c1
InChIInChI=1S/C18H26N2O3/c1-3-14-6-4-7-15(12-14)19-17(21)9-10-18(22)20-11-5-8-16(20)13-23-2/h4,6-7,12,16H,3,5,8-11,13H2,1-2H3,(H,19,21)/t16-/m0/s1
InChIKeyWRCYVSSDJBRBEF-INIZCTEOSA-N
MW318.42 g/mol
LogP2.61
Rot. Bonds7

About N-(3-ethylphenyl)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-4-oxobutanamide

N-(3-ethylphenyl)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-4-oxobutanamide (PubChem CID 50978943) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-(3-ethylphenyl)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-4-oxobutanamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-4-oxobutanamide
PubChem CID50978943
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC NameN-(3-ethylphenyl)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-4-oxobutanamide
SMILESCCc1cccc(NC(=O)CCC(=O)N2CCC[C@H]2COC)c1
InChIInChI=1S/C18H26N2O3/c1-3-14-6-4-7-15(12-14)19-17(21)9-10-18(22)20-11-5-8-16(20)13-23-2/h4,6-7,12,16H,3,5,8-11,13H2,1-2H3,(H,19,21)/t16-/m0/s1
InChIKeyWRCYVSSDJBRBEF-INIZCTEOSA-N
XLogP2.61
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-N-(3-ethylphenyl)-4-oxobutanamide
CID 131901526
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(3-ethylphenyl)acetamide;hydrochloride
CID 119927202
N-(3-ethylphenyl)-4-[3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-4-oxobutanamide
CID 131927649
methyl (3S)-1-[[2-(3-ethylanilino)-2-oxoethyl]carbamoyl]piperidine-3-carboxylate
CID 129470928
N-(3-ethylphenyl)-4-[(3S,4S)-3-hydroxy-4-piperidin-1-ylpyrrolidin-1-yl]-4-oxobutanamide
CID 131911358
2-[1-[(3-ethylphenyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61189756
N-(3-ethylphenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60642263
N-(3-ethylphenyl)-2-(3-formylpiperidin-1-yl)acetamide
CID 62656016
3-amino-1-[2-(methoxymethyl)pyrrolidin-1-yl]propan-1-one
CID 83624626
3-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(3-ethylphenyl)propanamide
CID 2591705
N-(2,3-dihydro-1H-inden-5-yl)-3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]propanamide
CID 91838658
N-(3-ethylphenyl)-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 86987252

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-4-oxobutanamide?
The IUPAC name of N-(3-ethylphenyl)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-4-oxobutanamide (CID 50978943) is N-(3-ethylphenyl)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-4-oxobutanamide.
What is the SMILES notation for N-(3-ethylphenyl)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-4-oxobutanamide?
The canonical SMILES for N-(3-ethylphenyl)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-4-oxobutanamide is CCc1cccc(NC(=O)CCC(=O)N2CCC[C@H]2COC)c1.
What is the InChIKey of N-(3-ethylphenyl)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-4-oxobutanamide?
The InChIKey is WRCYVSSDJBRBEF-INIZCTEOSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-3-14-6-4-7-15(12-14)19-17(21)9-10-18(22)20-11-5-8-16(20)13-23-2/h4,6-7,12,16H,3,5,8-11,13H2,1-2H3,(H,19,21)/t16-/m0/s1.
What are the key properties of N-(3-ethylphenyl)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-4-oxobutanamide?
N-(3-ethylphenyl)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-4-oxobutanamide has a molecular weight of 318.42 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-4-oxobutanamide is sourced from PubChem (CID 50978943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).