N-[(2-morpholin-4-ylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide

C16H21N3O3 — CID 110445215

IUPACN-[(2-morpholin-4-ylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
SMILESO=C1CCC(C(=O)NCc2ccccc2N2CCOCC2)N1
InChIInChI=1S/C16H21N3O3/c20-15-6-5-13(18-15)16(21)17-11-12-3-1-2-4-14(12)19-7-9-22-10-8-19/h1-4,13H,5-11H2,(H,17,21)(H,18,20)
InChIKeyAVMQEGGZWXMHMN-UHFFFAOYSA-N
MW303.36 g/mol
LogP0.42
Rot. Bonds4

About N-[(2-morpholin-4-ylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide

N-[(2-morpholin-4-ylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 110445215) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-[(2-morpholin-4-ylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-morpholin-4-ylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID110445215
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC NameN-[(2-morpholin-4-ylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
SMILESO=C1CCC(C(=O)NCc2ccccc2N2CCOCC2)N1
InChIInChI=1S/C16H21N3O3/c20-15-6-5-13(18-15)16(21)17-11-12-3-1-2-4-14(12)19-7-9-22-10-8-19/h1-4,13H,5-11H2,(H,17,21)(H,18,20)
InChIKeyAVMQEGGZWXMHMN-UHFFFAOYSA-N
XLogP0.42
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-morpholin-4-ylphenyl)methyl]pyrrolidine-2-carboxamide
CID 119853783
N-[(2-morpholin-4-ylphenyl)methyl]morpholine-3-carboxamide
CID 119853743
(2S,5R)-5-(aminomethyl)-N-[(2-morpholin-4-ylphenyl)methyl]oxolane-2-carboxamide
CID 120798390
2-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide
CID 47400471
(2S,4S)-2-methyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120633841
N-[(2-methylsulfanylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110475894
N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110689662
2,2,2-trifluoro-N-[(2-morpholin-4-ylphenyl)methyl]acetamide
CID 110443194
2-[(3S)-3-methylpyrrolidin-1-yl]-N-[(2-morpholin-4-ylphenyl)methyl]-2-oxoacetamide
CID 100613829
N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide
CID 110689653
1-[(2S,3S)-2-cyclopropyloxolan-3-yl]-3-[(2-morpholin-4-ylphenyl)methyl]urea
CID 124880562
3-cyclopropyl-N-[(2-morpholin-4-ylphenyl)methyl]butanamide
CID 51096915

Frequently Asked Questions

What is the IUPAC name of N-[(2-morpholin-4-ylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-[(2-morpholin-4-ylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide (CID 110445215) is N-[(2-morpholin-4-ylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(2-morpholin-4-ylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-[(2-morpholin-4-ylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide is O=C1CCC(C(=O)NCc2ccccc2N2CCOCC2)N1.
What is the InChIKey of N-[(2-morpholin-4-ylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is AVMQEGGZWXMHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c20-15-6-5-13(18-15)16(21)17-11-12-3-1-2-4-14(12)19-7-9-22-10-8-19/h1-4,13H,5-11H2,(H,17,21)(H,18,20).
What are the key properties of N-[(2-morpholin-4-ylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
N-[(2-morpholin-4-ylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-morpholin-4-ylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 110445215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).