2-[(3S)-3-methylpyrrolidin-1-yl]-N-[(2-morpholin-4-ylphenyl)methyl]-2-oxoacetamide

C18H25N3O3 — CID 100613829

IUPAC2-[(3S)-3-methylpyrrolidin-1-yl]-N-[(2-morpholin-4-ylphenyl)methyl]-2-oxoacetamide
SMILESC[C@H]1CCN(C(=O)C(=O)NCc2ccccc2N2CCOCC2)C1
InChIInChI=1S/C18H25N3O3/c1-14-6-7-21(13-14)18(23)17(22)19-12-15-4-2-3-5-16(15)20-8-10-24-11-9-20/h2-5,14H,6-13H2,1H3,(H,19,22)/t14-/m0/s1
InChIKeyCQNYZOHNOZKRKB-AWEZNQCLSA-N
MW331.42 g/mol
LogP1.01
Rot. Bonds3

About 2-[(3S)-3-methylpyrrolidin-1-yl]-N-[(2-morpholin-4-ylphenyl)methyl]-2-oxoacetamide

2-[(3S)-3-methylpyrrolidin-1-yl]-N-[(2-morpholin-4-ylphenyl)methyl]-2-oxoacetamide (PubChem CID 100613829) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-[(3S)-3-methylpyrrolidin-1-yl]-N-[(2-morpholin-4-ylphenyl)methyl]-2-oxoacetamide.

Molecular Properties

Compound Name2-[(3S)-3-methylpyrrolidin-1-yl]-N-[(2-morpholin-4-ylphenyl)methyl]-2-oxoacetamide
PubChem CID100613829
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name2-[(3S)-3-methylpyrrolidin-1-yl]-N-[(2-morpholin-4-ylphenyl)methyl]-2-oxoacetamide
SMILESC[C@H]1CCN(C(=O)C(=O)NCc2ccccc2N2CCOCC2)C1
InChIInChI=1S/C18H25N3O3/c1-14-6-7-21(13-14)18(23)17(22)19-12-15-4-2-3-5-16(15)20-8-10-24-11-9-20/h2-5,14H,6-13H2,1H3,(H,19,22)/t14-/m0/s1
InChIKeyCQNYZOHNOZKRKB-AWEZNQCLSA-N
XLogP1.01
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N',3-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-1-carboximidamide
CID 111144464
2-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide
CID 47400471
N',3,5-trimethyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111153568
N-[(2-morpholin-4-ylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110445215
3-cyclopropyl-N-[(2-morpholin-4-ylphenyl)methyl]butanamide
CID 51096915
2,2,2-trifluoro-N-[(2-morpholin-4-ylphenyl)methyl]acetamide
CID 110443194
(2S,4S)-2-methyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120633841
N-[(2-morpholin-4-ylphenyl)methyl]pyrrolidine-2-carboxamide
CID 119853783
N,N-dimethyl-3-[(2-morpholin-4-ylphenyl)methylamino]propanamide
CID 71933821
methyl 2-[2-[(2-morpholin-4-ylphenyl)methylamino]-2-oxoethyl]benzoate
CID 75440397
(2S,5R)-5-(aminomethyl)-N-[(2-morpholin-4-ylphenyl)methyl]oxolane-2-carboxamide
CID 120798390
1-amino-N-[(2-morpholin-4-ylphenyl)methyl]cyclopentane-1-carboxamide
CID 119853759

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-methylpyrrolidin-1-yl]-N-[(2-morpholin-4-ylphenyl)methyl]-2-oxoacetamide?
The IUPAC name of 2-[(3S)-3-methylpyrrolidin-1-yl]-N-[(2-morpholin-4-ylphenyl)methyl]-2-oxoacetamide (CID 100613829) is 2-[(3S)-3-methylpyrrolidin-1-yl]-N-[(2-morpholin-4-ylphenyl)methyl]-2-oxoacetamide.
What is the SMILES notation for 2-[(3S)-3-methylpyrrolidin-1-yl]-N-[(2-morpholin-4-ylphenyl)methyl]-2-oxoacetamide?
The canonical SMILES for 2-[(3S)-3-methylpyrrolidin-1-yl]-N-[(2-morpholin-4-ylphenyl)methyl]-2-oxoacetamide is C[C@H]1CCN(C(=O)C(=O)NCc2ccccc2N2CCOCC2)C1.
What is the InChIKey of 2-[(3S)-3-methylpyrrolidin-1-yl]-N-[(2-morpholin-4-ylphenyl)methyl]-2-oxoacetamide?
The InChIKey is CQNYZOHNOZKRKB-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-14-6-7-21(13-14)18(23)17(22)19-12-15-4-2-3-5-16(15)20-8-10-24-11-9-20/h2-5,14H,6-13H2,1H3,(H,19,22)/t14-/m0/s1.
What are the key properties of 2-[(3S)-3-methylpyrrolidin-1-yl]-N-[(2-morpholin-4-ylphenyl)methyl]-2-oxoacetamide?
2-[(3S)-3-methylpyrrolidin-1-yl]-N-[(2-morpholin-4-ylphenyl)methyl]-2-oxoacetamide has a molecular weight of 331.42 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-methylpyrrolidin-1-yl]-N-[(2-morpholin-4-ylphenyl)methyl]-2-oxoacetamide is sourced from PubChem (CID 100613829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).