N-[[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]-N-morpholin-4-ylformamide

C18H25N3O4 — CID 88605364

IUPACN-[[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]-N-morpholin-4-ylformamide
SMILESCOc1ccc(CN2CC(CN(C=O)N3CCOCC3)CC2=O)cc1
InChIInChI=1S/C18H25N3O4/c1-24-17-4-2-15(3-5-17)11-19-12-16(10-18(19)23)13-21(14-22)20-6-8-25-9-7-20/h2-5,14,16H,6-13H2,1H3
InChIKeyOBXHRWIHYHJPMP-UHFFFAOYSA-N
MW347.41 g/mol
LogP0.75
Rot. Bonds7

About N-[[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]-N-morpholin-4-ylformamide

N-[[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]-N-morpholin-4-ylformamide (PubChem CID 88605364) has the molecular formula C18H25N3O4 and a molecular weight of 347.41 g/mol. Its IUPAC name is N-[[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]-N-morpholin-4-ylformamide.

Molecular Properties

Compound NameN-[[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]-N-morpholin-4-ylformamide
PubChem CID88605364
Molecular FormulaC18H25N3O4
Molecular Weight347.41 g/mol
Exact Mass347.18
IUPAC NameN-[[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]-N-morpholin-4-ylformamide
SMILESCOc1ccc(CN2CC(CN(C=O)N3CCOCC3)CC2=O)cc1
InChIInChI=1S/C18H25N3O4/c1-24-17-4-2-15(3-5-17)11-19-12-16(10-18(19)23)13-21(14-22)20-6-8-25-9-7-20/h2-5,14,16H,6-13H2,1H3
InChIKeyOBXHRWIHYHJPMP-UHFFFAOYSA-N
XLogP0.75
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-[(4-methoxyphenyl)methyl]-4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]pyrrolidin-2-one
CID 11068798
(3R)-1-[(4-methoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 92696440
1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711571
1-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-[(4-methoxyphenyl)methyl]pyrazine-2,3-dione
CID 154884210
(3S)-N-(cyclopropylmethyl)-1-[(4-methoxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 95619377
2-[(2R)-1-[(4-methoxyphenyl)methyl]-4-oxoazetidin-2-yl]acetaldehyde
CID 14543427
4-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
CID 119413472
N-[[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]-4-methoxybenzamide
CID 40898594
(4-methoxyphenyl)methyl 1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxylate
CID 24818198
2-[4-[[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]oxan-4-yl]acetic acid
CID 119214831
4-(aminomethyl)-1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-2-one
CID 168659646
N-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 46109700

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]-N-morpholin-4-ylformamide?
The IUPAC name of N-[[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]-N-morpholin-4-ylformamide (CID 88605364) is N-[[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]-N-morpholin-4-ylformamide.
What is the SMILES notation for N-[[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]-N-morpholin-4-ylformamide?
The canonical SMILES for N-[[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]-N-morpholin-4-ylformamide is COc1ccc(CN2CC(CN(C=O)N3CCOCC3)CC2=O)cc1.
What is the InChIKey of N-[[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]-N-morpholin-4-ylformamide?
The InChIKey is OBXHRWIHYHJPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-24-17-4-2-15(3-5-17)11-19-12-16(10-18(19)23)13-21(14-22)20-6-8-25-9-7-20/h2-5,14,16H,6-13H2,1H3.
What are the key properties of N-[[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]-N-morpholin-4-ylformamide?
N-[[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]-N-morpholin-4-ylformamide has a molecular weight of 347.41 g/mol, XLogP of 0.75, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]-N-morpholin-4-ylformamide is sourced from PubChem (CID 88605364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).