1-[(4-methylphenyl)methyl]-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-2-carboxamide

C20H29N3O3 — CID 3236574

IUPAC1-[(4-methylphenyl)methyl]-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-2-carboxamide
SMILESCc1ccc(CN2C(=O)CCC2C(=O)NCCCN2CCOCC2)cc1
InChIInChI=1S/C20H29N3O3/c1-16-3-5-17(6-4-16)15-23-18(7-8-19(23)24)20(25)21-9-2-10-22-11-13-26-14-12-22/h3-6,18H,2,7-15H2,1H3,(H,21,25)
InChIKeyUEBQFLXTXDHLRV-UHFFFAOYSA-N
MW359.47 g/mol
LogP1.32
Rot. Bonds7

About 1-[(4-methylphenyl)methyl]-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-2-carboxamide

1-[(4-methylphenyl)methyl]-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 3236574) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methyl]-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[(4-methylphenyl)methyl]-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-2-carboxamide
PubChem CID3236574
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name1-[(4-methylphenyl)methyl]-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-2-carboxamide
SMILESCc1ccc(CN2C(=O)CCC2C(=O)NCCCN2CCOCC2)cc1
InChIInChI=1S/C20H29N3O3/c1-16-3-5-17(6-4-16)15-23-18(7-8-19(23)24)20(25)21-9-2-10-22-11-13-26-14-12-22/h3-6,18H,2,7-15H2,1H3,(H,21,25)
InChIKeyUEBQFLXTXDHLRV-UHFFFAOYSA-N
XLogP1.32
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-5-oxopyrrolidine-2-carboxamide
CID 3519775
4-Morpholineacetamide, N-(phenylmethyl)-
CID 2958814
Smac peptido-mimetic 1
CID 11200722
L-valyl-L-proline benzylamide
CID 11645153
N1-benzyl-N2-(3-morpholinopropyl)oxalamide
CID 2291099
tert-butyl N-[[(3S)-1-[(2S)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]piperidin-3-yl]methyl]carbamate
CID 60143350
tert-butyl N-[[(3R)-1-[(2S)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]piperidin-3-yl]methyl]carbamate
CID 60151674
(3S,5S)-N-benzyl-5-(pyrrolidin-1-ylcarbonyl)pyrrolidine-3-carboxamide
CID 23646021
1-[2-[(4-Methylphenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 2106397
4-methyl-N-{2-[(morpholin-4-ylacetyl)amino]ethyl}benzamide
CID 2899073
Pyrrolidine-1,2-dicarboxylic acid 1-benzylamide 2-(4-methyl-benzylamide)
CID 3219747
N-(sec-butyl)-1-(4-methylbenzyl)-5-oxoprolinamide
CID 3237270

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)methyl]-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of 1-[(4-methylphenyl)methyl]-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-2-carboxamide (CID 3236574) is 1-[(4-methylphenyl)methyl]-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[(4-methylphenyl)methyl]-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for 1-[(4-methylphenyl)methyl]-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-2-carboxamide is Cc1ccc(CN2C(=O)CCC2C(=O)NCCCN2CCOCC2)cc1.
What is the InChIKey of 1-[(4-methylphenyl)methyl]-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is UEBQFLXTXDHLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-16-3-5-17(6-4-16)15-23-18(7-8-19(23)24)20(25)21-9-2-10-22-11-13-26-14-12-22/h3-6,18H,2,7-15H2,1H3,(H,21,25).
What are the key properties of 1-[(4-methylphenyl)methyl]-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-2-carboxamide?
1-[(4-methylphenyl)methyl]-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 1.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)methyl]-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 3236574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).