N-[(3R)-1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]oxane-4-carboxamide

C19H26N2O4 — CID 25282898

IUPACN-[(3R)-1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]oxane-4-carboxamide
SMILESCOc1ccc(CCN2C[C@H](NC(=O)C3CCOCC3)CC2=O)cc1
InChIInChI=1S/C19H26N2O4/c1-24-17-4-2-14(3-5-17)6-9-21-13-16(12-18(21)22)20-19(23)15-7-10-25-11-8-15/h2-5,15-16H,6-13H2,1H3,(H,20,23)/t16-/m1/s1
InChIKeyTZSCULLBMMWHFR-MRXNPFEDSA-N
MW346.43 g/mol
LogP1.38
Rot. Bonds6

About N-[(3R)-1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]oxane-4-carboxamide

N-[(3R)-1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]oxane-4-carboxamide (PubChem CID 25282898) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[(3R)-1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]oxane-4-carboxamide
PubChem CID25282898
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC NameN-[(3R)-1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]oxane-4-carboxamide
SMILESCOc1ccc(CCN2C[C@H](NC(=O)C3CCOCC3)CC2=O)cc1
InChIInChI=1S/C19H26N2O4/c1-24-17-4-2-14(3-5-17)6-9-21-13-16(12-18(21)22)20-19(23)15-7-10-25-11-8-15/h2-5,15-16H,6-13H2,1H3,(H,20,23)/t16-/m1/s1
InChIKeyTZSCULLBMMWHFR-MRXNPFEDSA-N
XLogP1.38
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[2-(4-methoxyphenyl)ethyl]-N-(oxan-4-yl)-6-oxopiperidine-3-carboxamide
CID 25280204
N-[(3R)-1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-methylsulfanylacetamide
CID 26335253
N-[(3S)-1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]furan-2-carboxamide
CID 42475396
(3R)-1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 972679
N-[(3S)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-4-methoxybenzamide
CID 42345548
N-[(3S)-1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-propan-2-ylsulfanylacetamide
CID 95730256
N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]cyclobutanecarboxamide
CID 45195311
(4S)-4-(cyclohexylamino)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
CID 42210577
4-(cyclohexylamino)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
CID 45235933
N-[(3S)-1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]-3-methylthiophene-2-carboxamide
CID 25308070
1-(3-methoxyphenyl)-3-[(3R)-1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]urea
CID 42516811
N-[(3S)-1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 42195544

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]oxane-4-carboxamide?
The IUPAC name of N-[(3R)-1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]oxane-4-carboxamide (CID 25282898) is N-[(3R)-1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]oxane-4-carboxamide.
What is the SMILES notation for N-[(3R)-1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]oxane-4-carboxamide?
The canonical SMILES for N-[(3R)-1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]oxane-4-carboxamide is COc1ccc(CCN2C[C@H](NC(=O)C3CCOCC3)CC2=O)cc1.
What is the InChIKey of N-[(3R)-1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]oxane-4-carboxamide?
The InChIKey is TZSCULLBMMWHFR-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-24-17-4-2-14(3-5-17)6-9-21-13-16(12-18(21)22)20-19(23)15-7-10-25-11-8-15/h2-5,15-16H,6-13H2,1H3,(H,20,23)/t16-/m1/s1.
What are the key properties of N-[(3R)-1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]oxane-4-carboxamide?
N-[(3R)-1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]oxane-4-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]oxane-4-carboxamide is sourced from PubChem (CID 25282898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).