4-methyl-3-morpholin-4-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide

C23H29N3O2 — CID 46977362

IUPAC4-methyl-3-morpholin-4-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
SMILESCc1ccc(C(=O)NCc2ccccc2N2CCCC2)cc1N1CCOCC1
InChIInChI=1S/C23H29N3O2/c1-18-8-9-19(16-22(18)26-12-14-28-15-13-26)23(27)24-17-20-6-2-3-7-21(20)25-10-4-5-11-25/h2-3,6-9,16H,4-5,10-15,17H2,1H3,(H,24,27)
InChIKeyQMCOWULMJGNRGW-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.36
Rot. Bonds5

About 4-methyl-3-morpholin-4-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide

4-methyl-3-morpholin-4-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide (PubChem CID 46977362) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 4-methyl-3-morpholin-4-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-methyl-3-morpholin-4-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
PubChem CID46977362
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name4-methyl-3-morpholin-4-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
SMILESCc1ccc(C(=O)NCc2ccccc2N2CCCC2)cc1N1CCOCC1
InChIInChI=1S/C23H29N3O2/c1-18-8-9-19(16-22(18)26-12-14-28-15-13-26)23(27)24-17-20-6-2-3-7-21(20)25-10-4-5-11-25/h2-3,6-9,16H,4-5,10-15,17H2,1H3,(H,24,27)
InChIKeyQMCOWULMJGNRGW-UHFFFAOYSA-N
XLogP3.36
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetamido-N-[(2-morpholin-4-ylphenyl)methyl]benzamide
CID 47788856
4-methyl-N-[(6-methyl-2-pyridinyl)methyl]-3-morpholin-4-ylbenzamide
CID 138031186
3-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 71883592
3-(diethylsulfamoyl)-4-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 55980552
4-methyl-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]-3-pyrrolidin-1-ylbenzamide
CID 92626833
2-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide
CID 47400471
2,2,2-trifluoro-N-[(2-morpholin-4-ylphenyl)methyl]acetamide
CID 110443194
3-fluoro-N-[[2-(hydroxymethyl)phenyl]methyl]-4-morpholin-4-ylbenzamide
CID 111107185
N-[(2-methylphenyl)methyl]-5-morpholin-4-ylpyridine-3-carboxamide
CID 109228561
methyl 2-[2-[(2-morpholin-4-ylphenyl)methylamino]-2-oxoethyl]benzoate
CID 75440397
3-ethyl-5-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-1,2-oxazole-4-carboxamide
CID 51096940
1-amino-N-[(2-morpholin-4-ylphenyl)methyl]cyclopentane-1-carboxamide
CID 119853759

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-morpholin-4-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide?
The IUPAC name of 4-methyl-3-morpholin-4-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide (CID 46977362) is 4-methyl-3-morpholin-4-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide.
What is the SMILES notation for 4-methyl-3-morpholin-4-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide?
The canonical SMILES for 4-methyl-3-morpholin-4-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide is Cc1ccc(C(=O)NCc2ccccc2N2CCCC2)cc1N1CCOCC1.
What is the InChIKey of 4-methyl-3-morpholin-4-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide?
The InChIKey is QMCOWULMJGNRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-18-8-9-19(16-22(18)26-12-14-28-15-13-26)23(27)24-17-20-6-2-3-7-21(20)25-10-4-5-11-25/h2-3,6-9,16H,4-5,10-15,17H2,1H3,(H,24,27).
What are the key properties of 4-methyl-3-morpholin-4-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide?
4-methyl-3-morpholin-4-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide has a molecular weight of 379.50 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-morpholin-4-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide is sourced from PubChem (CID 46977362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).