3-[4-(methylamino)phenyl]-N-[(3R)-3-morpholin-4-ylbutyl]benzamide

C22H29N3O2 — CID 125176405

IUPAC3-[4-(methylamino)phenyl]-N-[(3R)-3-morpholin-4-ylbutyl]benzamide
SMILESCNc1ccc(-c2cccc(C(=O)NCC[C@@H](C)N3CCOCC3)c2)cc1
InChIInChI=1S/C22H29N3O2/c1-17(25-12-14-27-15-13-25)10-11-24-22(26)20-5-3-4-19(16-20)18-6-8-21(23-2)9-7-18/h3-9,16-17,23H,10-15H2,1-2H3,(H,24,26)/t17-/m1/s1
InChIKeyNEANGZNQZWYCBZ-QGZVFWFLSA-N
MW367.49 g/mol
LogP3.24
Rot. Bonds7

About 3-[4-(methylamino)phenyl]-N-[(3R)-3-morpholin-4-ylbutyl]benzamide

3-[4-(methylamino)phenyl]-N-[(3R)-3-morpholin-4-ylbutyl]benzamide (PubChem CID 125176405) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 3-[4-(methylamino)phenyl]-N-[(3R)-3-morpholin-4-ylbutyl]benzamide.

Molecular Properties

Compound Name3-[4-(methylamino)phenyl]-N-[(3R)-3-morpholin-4-ylbutyl]benzamide
PubChem CID125176405
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name3-[4-(methylamino)phenyl]-N-[(3R)-3-morpholin-4-ylbutyl]benzamide
SMILESCNc1ccc(-c2cccc(C(=O)NCC[C@@H](C)N3CCOCC3)c2)cc1
InChIInChI=1S/C22H29N3O2/c1-17(25-12-14-27-15-13-25)10-11-24-22(26)20-5-3-4-19(16-20)18-6-8-21(23-2)9-7-18/h3-9,16-17,23H,10-15H2,1-2H3,(H,24,26)/t17-/m1/s1
InChIKeyNEANGZNQZWYCBZ-QGZVFWFLSA-N
XLogP3.24
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-cyanophenyl)-N-[(3R)-3-morpholin-4-ylbutyl]benzamide
CID 126443395
3-(1-methyl-6-oxopyridazin-3-yl)-N-[(3R)-3-morpholin-4-ylbutyl]benzamide
CID 125440311
3-(5-amino-1-methylpyrazol-4-yl)-N-[(3S)-3-morpholin-4-ylbutyl]benzamide
CID 126447514
4-(3-cyano-4-fluorophenyl)-N-(3-morpholin-4-ylbutyl)benzamide
CID 121498729
N-(3-morpholin-4-ylbutyl)pyridazine-4-carboxamide
CID 91307914
3-phenyl-N-(2-piperidin-1-ylpropyl)benzamide
CID 112502353
4-(methylamino)-N-(3-morpholin-4-ylpropyl)benzamide
CID 62167538
N-[2-[[N-ethyl-N'-(2-morpholin-4-ylpropyl)carbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111021180
3-(2-methylpropanoylamino)-N-(2-morpholin-4-ylethyl)benzamide
CID 4051447
3-(methylamino)-N-[2-(oxan-4-yl)ethyl]benzamide
CID 115160939
3-(3-hydroxy-3-methylbutyl)-N-[(3R)-3-(4-methylpiperazin-1-yl)butyl]benzamide
CID 95872723
N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-phenylbenzamide
CID 110359324

Frequently Asked Questions

What is the IUPAC name of 3-[4-(methylamino)phenyl]-N-[(3R)-3-morpholin-4-ylbutyl]benzamide?
The IUPAC name of 3-[4-(methylamino)phenyl]-N-[(3R)-3-morpholin-4-ylbutyl]benzamide (CID 125176405) is 3-[4-(methylamino)phenyl]-N-[(3R)-3-morpholin-4-ylbutyl]benzamide.
What is the SMILES notation for 3-[4-(methylamino)phenyl]-N-[(3R)-3-morpholin-4-ylbutyl]benzamide?
The canonical SMILES for 3-[4-(methylamino)phenyl]-N-[(3R)-3-morpholin-4-ylbutyl]benzamide is CNc1ccc(-c2cccc(C(=O)NCC[C@@H](C)N3CCOCC3)c2)cc1.
What is the InChIKey of 3-[4-(methylamino)phenyl]-N-[(3R)-3-morpholin-4-ylbutyl]benzamide?
The InChIKey is NEANGZNQZWYCBZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-17(25-12-14-27-15-13-25)10-11-24-22(26)20-5-3-4-19(16-20)18-6-8-21(23-2)9-7-18/h3-9,16-17,23H,10-15H2,1-2H3,(H,24,26)/t17-/m1/s1.
What are the key properties of 3-[4-(methylamino)phenyl]-N-[(3R)-3-morpholin-4-ylbutyl]benzamide?
3-[4-(methylamino)phenyl]-N-[(3R)-3-morpholin-4-ylbutyl]benzamide has a molecular weight of 367.49 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(methylamino)phenyl]-N-[(3R)-3-morpholin-4-ylbutyl]benzamide is sourced from PubChem (CID 125176405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).