4-methyl-N-[[4-(4-methylbenzoyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide

C25H32N2O3 — CID 46059580

IUPAC4-methyl-N-[[4-(4-methylbenzoyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide
SMILESCc1ccc(C(=O)N2CCOC(CN(CC(C)C)C(=O)c3ccc(C)cc3)C2)cc1
InChIInChI=1S/C25H32N2O3/c1-18(2)15-27(25(29)22-11-7-20(4)8-12-22)17-23-16-26(13-14-30-23)24(28)21-9-5-19(3)6-10-21/h5-12,18,23H,13-17H2,1-4H3
InChIKeyXVYVMQUOGHKKBP-UHFFFAOYSA-N
MW408.54 g/mol
LogP3.94
Rot. Bonds6

About 4-methyl-N-[[4-(4-methylbenzoyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide

4-methyl-N-[[4-(4-methylbenzoyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide (PubChem CID 46059580) has the molecular formula C25H32N2O3 and a molecular weight of 408.54 g/mol. Its IUPAC name is 4-methyl-N-[[4-(4-methylbenzoyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name4-methyl-N-[[4-(4-methylbenzoyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide
PubChem CID46059580
Molecular FormulaC25H32N2O3
Molecular Weight408.54 g/mol
Exact Mass408.24
IUPAC Name4-methyl-N-[[4-(4-methylbenzoyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide
SMILESCc1ccc(C(=O)N2CCOC(CN(CC(C)C)C(=O)c3ccc(C)cc3)C2)cc1
InChIInChI=1S/C25H32N2O3/c1-18(2)15-27(25(29)22-11-7-20(4)8-12-22)17-23-16-26(13-14-30-23)24(28)21-9-5-19(3)6-10-21/h5-12,18,23H,13-17H2,1-4H3
InChIKeyXVYVMQUOGHKKBP-UHFFFAOYSA-N
XLogP3.94
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.54
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(4-methylbenzoyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide
CID 46059626
N-(2-methoxyethyl)-4-methyl-N-[[4-(4-methylbenzoyl)morpholin-2-yl]methyl]benzamide
CID 46059667
N-[[4-(1,3-benzodioxole-5-carbonyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide
CID 46059631
N-(2-methoxyethyl)-N-[[4-(4-methylbenzoyl)morpholin-2-yl]methyl]benzamide
CID 46041170
N-[[4-(2-hydroxy-2-phenylethyl)morpholin-2-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide
CID 42862249
N-[[4-(furan-3-carbonyl)morpholin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methylpropyl)benzamide
CID 46059623
(2S)-2-[[benzoyl(2-methylpropyl)amino]methyl]-N-prop-2-enylmorpholine-4-carboxamide
CID 93327899
N-[[4-(2-hydroxy-3-phenoxypropyl)morpholin-2-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide
CID 42862250
N-[2-(dimethylamino)ethyl]-4-fluoro-N-[[4-(4-fluorobenzoyl)morpholin-2-yl]methyl]benzamide
CID 46059702
N-[2-(dimethylamino)ethyl]-4-fluoro-N-[[(2R)-4-(4-fluorobenzoyl)morpholin-2-yl]methyl]benzamide
CID 93338217
N-[[4-(cyclopropanecarbonyl)morpholin-2-yl]methyl]-4-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 42861675
4-fluoro-N-(2-methylpropyl)-N-[[(2S)-4-(2-phenoxyacetyl)morpholin-2-yl]methyl]benzamide
CID 93338082

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[4-(4-methylbenzoyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide?
The IUPAC name of 4-methyl-N-[[4-(4-methylbenzoyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide (CID 46059580) is 4-methyl-N-[[4-(4-methylbenzoyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 4-methyl-N-[[4-(4-methylbenzoyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide?
The canonical SMILES for 4-methyl-N-[[4-(4-methylbenzoyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide is Cc1ccc(C(=O)N2CCOC(CN(CC(C)C)C(=O)c3ccc(C)cc3)C2)cc1.
What is the InChIKey of 4-methyl-N-[[4-(4-methylbenzoyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide?
The InChIKey is XVYVMQUOGHKKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O3/c1-18(2)15-27(25(29)22-11-7-20(4)8-12-22)17-23-16-26(13-14-30-23)24(28)21-9-5-19(3)6-10-21/h5-12,18,23H,13-17H2,1-4H3.
What are the key properties of 4-methyl-N-[[4-(4-methylbenzoyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide?
4-methyl-N-[[4-(4-methylbenzoyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide has a molecular weight of 408.54 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[4-(4-methylbenzoyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 46059580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).