1-(4-benzylmorpholine-2-carbonyl)-N-methylpyrrolidine-2-carboxamide

C18H25N3O3 — CID 136527577

IUPAC1-(4-benzylmorpholine-2-carbonyl)-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1C(=O)C1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C18H25N3O3/c1-19-17(22)15-8-5-9-21(15)18(23)16-13-20(10-11-24-16)12-14-6-3-2-4-7-14/h2-4,6-7,15-16H,5,8-13H2,1H3,(H,19,22)
InChIKeyIVJACKCVJKZAGJ-UHFFFAOYSA-N
MW331.42 g/mol
LogP0.62
Rot. Bonds4

About 1-(4-benzylmorpholine-2-carbonyl)-N-methylpyrrolidine-2-carboxamide

1-(4-benzylmorpholine-2-carbonyl)-N-methylpyrrolidine-2-carboxamide (PubChem CID 136527577) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-(4-benzylmorpholine-2-carbonyl)-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-benzylmorpholine-2-carbonyl)-N-methylpyrrolidine-2-carboxamide
PubChem CID136527577
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name1-(4-benzylmorpholine-2-carbonyl)-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1C(=O)C1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C18H25N3O3/c1-19-17(22)15-8-5-9-21(15)18(23)16-13-20(10-11-24-16)12-14-6-3-2-4-7-14/h2-4,6-7,15-16H,5,8-13H2,1H3,(H,19,22)
InChIKeyIVJACKCVJKZAGJ-UHFFFAOYSA-N
XLogP0.62
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-4-benzylmorpholin-2-yl]-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]methanone
CID 97082294
(4-benzylmorpholin-2-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119395506
[(2S)-4-benzylmorpholin-2-yl]-[(4R)-4-methylazepan-1-yl]methanone
CID 97023605
(4-benzylmorpholin-2-yl)-(2,3-dimethylpiperazin-1-yl)methanone
CID 120572360
1-benzyl-N-methylpiperidine-3-carboxamide
CID 43918327
4-benzyl-N-[(1R,2R)-2-hydroxycyclohexyl]morpholine-2-carboxamide
CID 58504652
(2S)-4-benzyl-N-(2-methoxyethyl)morpholine-2-carboxamide
CID 95636050
[(2S)-4-benzylmorpholin-2-yl]-phenylmethanone;(4-benzylmorpholin-2-yl)-phenylmethanone
CID 158902777
(2R)-N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 98785746
4-[[[(2S)-4-benzylmorpholine-2-carbonyl]amino]methyl]benzoic acid
CID 124703916
1-N-benzyl-2-N-methylpyrrolidine-1,2-dicarboxamide
CID 47085421
(2R)-4-benzyl-N-[(1R)-1-cyano-2-methylpropyl]morpholine-2-carboxamide
CID 97216021

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylmorpholine-2-carbonyl)-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(4-benzylmorpholine-2-carbonyl)-N-methylpyrrolidine-2-carboxamide (CID 136527577) is 1-(4-benzylmorpholine-2-carbonyl)-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(4-benzylmorpholine-2-carbonyl)-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(4-benzylmorpholine-2-carbonyl)-N-methylpyrrolidine-2-carboxamide is CNC(=O)C1CCCN1C(=O)C1CN(Cc2ccccc2)CCO1.
What is the InChIKey of 1-(4-benzylmorpholine-2-carbonyl)-N-methylpyrrolidine-2-carboxamide?
The InChIKey is IVJACKCVJKZAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-19-17(22)15-8-5-9-21(15)18(23)16-13-20(10-11-24-16)12-14-6-3-2-4-7-14/h2-4,6-7,15-16H,5,8-13H2,1H3,(H,19,22).
What are the key properties of 1-(4-benzylmorpholine-2-carbonyl)-N-methylpyrrolidine-2-carboxamide?
1-(4-benzylmorpholine-2-carbonyl)-N-methylpyrrolidine-2-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylmorpholine-2-carbonyl)-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 136527577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).