4-methyl-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]-3-pyrrolidin-1-ylbenzamide

C21H33N3O2 — CID 92626833

IUPAC4-methyl-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]-3-pyrrolidin-1-ylbenzamide
SMILESCc1ccc(C(=O)NC[C@H](C(C)C)N2CCOCC2)cc1N1CCCC1
InChIInChI=1S/C21H33N3O2/c1-16(2)20(24-10-12-26-13-11-24)15-22-21(25)18-7-6-17(3)19(14-18)23-8-4-5-9-23/h6-7,14,16,20H,4-5,8-13,15H2,1-3H3,(H,22,25)/t20-/m1/s1
InChIKeyCUFMIWMLGDIZOU-HXUWFJFHSA-N
MW359.51 g/mol
LogP2.68
Rot. Bonds6

About 4-methyl-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]-3-pyrrolidin-1-ylbenzamide

4-methyl-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]-3-pyrrolidin-1-ylbenzamide (PubChem CID 92626833) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is 4-methyl-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]-3-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound Name4-methyl-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]-3-pyrrolidin-1-ylbenzamide
PubChem CID92626833
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC Name4-methyl-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]-3-pyrrolidin-1-ylbenzamide
SMILESCc1ccc(C(=O)NC[C@H](C(C)C)N2CCOCC2)cc1N1CCCC1
InChIInChI=1S/C21H33N3O2/c1-16(2)20(24-10-12-26-13-11-24)15-22-21(25)18-7-6-17(3)19(14-18)23-8-4-5-9-23/h6-7,14,16,20H,4-5,8-13,15H2,1-3H3,(H,22,25)/t20-/m1/s1
InChIKeyCUFMIWMLGDIZOU-HXUWFJFHSA-N
XLogP2.68
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]naphthalene-2-carboxamide
CID 25497917
4-methyl-3-morpholin-4-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 46977362
4-fluoro-3-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)benzamide
CID 63212942
2-methyl-N-(3-methyl-2-morpholin-4-ylbutyl)benzamide
CID 110402733
2-methyl-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]-3-morpholin-4-ylbenzamide
CID 92626787
N-(3-methyl-2-morpholin-4-ylbutyl)-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 55788763
N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-4-nitrobenzamide
CID 30379685
4-(4-fluorophenoxy)-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]benzamide
CID 32627981
5-fluoro-3-N-(3-methyl-2-morpholin-4-ylbutyl)benzene-1,3-dicarboxamide
CID 167837572
4-methyl-N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
CID 92627062
2-methyl-1-(4-methyl-3-pyrrolidin-1-ylphenyl)propan-1-one
CID 82115885
4-methyl-3-morpholin-4-yl-N-[1-(4-morpholin-4-ylphenyl)ethyl]benzamide
CID 46977369

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]-3-pyrrolidin-1-ylbenzamide?
The IUPAC name of 4-methyl-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]-3-pyrrolidin-1-ylbenzamide (CID 92626833) is 4-methyl-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]-3-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for 4-methyl-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]-3-pyrrolidin-1-ylbenzamide?
The canonical SMILES for 4-methyl-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]-3-pyrrolidin-1-ylbenzamide is Cc1ccc(C(=O)NC[C@H](C(C)C)N2CCOCC2)cc1N1CCCC1.
What is the InChIKey of 4-methyl-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]-3-pyrrolidin-1-ylbenzamide?
The InChIKey is CUFMIWMLGDIZOU-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H33N3O2/c1-16(2)20(24-10-12-26-13-11-24)15-22-21(25)18-7-6-17(3)19(14-18)23-8-4-5-9-23/h6-7,14,16,20H,4-5,8-13,15H2,1-3H3,(H,22,25)/t20-/m1/s1.
What are the key properties of 4-methyl-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]-3-pyrrolidin-1-ylbenzamide?
4-methyl-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]-3-pyrrolidin-1-ylbenzamide has a molecular weight of 359.51 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]-3-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 92626833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).