2-methyl-N-[3-methyl-1-[4-(morpholin-4-ylmethyl)anilino]-1-oxobutan-2-yl]benzamide

C24H31N3O3 — CID 78802635

IUPAC2-methyl-N-[3-methyl-1-[4-(morpholin-4-ylmethyl)anilino]-1-oxobutan-2-yl]benzamide
SMILESCc1ccccc1C(=O)NC(C(=O)Nc1ccc(CN2CCOCC2)cc1)C(C)C
InChIInChI=1S/C24H31N3O3/c1-17(2)22(26-23(28)21-7-5-4-6-18(21)3)24(29)25-20-10-8-19(9-11-20)16-27-12-14-30-15-13-27/h4-11,17,22H,12-16H2,1-3H3,(H,25,29)(H,26,28)
InChIKeyLENOOEGPVCYKNC-UHFFFAOYSA-N
MW409.53 g/mol
LogP3.22
Rot. Bonds7

About 2-methyl-N-[3-methyl-1-[4-(morpholin-4-ylmethyl)anilino]-1-oxobutan-2-yl]benzamide

2-methyl-N-[3-methyl-1-[4-(morpholin-4-ylmethyl)anilino]-1-oxobutan-2-yl]benzamide (PubChem CID 78802635) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is 2-methyl-N-[3-methyl-1-[4-(morpholin-4-ylmethyl)anilino]-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[3-methyl-1-[4-(morpholin-4-ylmethyl)anilino]-1-oxobutan-2-yl]benzamide
PubChem CID78802635
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Name2-methyl-N-[3-methyl-1-[4-(morpholin-4-ylmethyl)anilino]-1-oxobutan-2-yl]benzamide
SMILESCc1ccccc1C(=O)NC(C(=O)Nc1ccc(CN2CCOCC2)cc1)C(C)C
InChIInChI=1S/C24H31N3O3/c1-17(2)22(26-23(28)21-7-5-4-6-18(21)3)24(29)25-20-10-8-19(9-11-20)16-27-12-14-30-15-13-27/h4-11,17,22H,12-16H2,1-3H3,(H,25,29)(H,26,28)
InChIKeyLENOOEGPVCYKNC-UHFFFAOYSA-N
XLogP3.22
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]-3-methylbutanoate
CID 154773903
2-methyl-N-[3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]benzamide
CID 51149358
N-[1-(4-benzylpiperazin-1-yl)-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 46523708
2-methyl-N-[(2S)-3-methyl-1-oxo-1-(pyridin-4-ylamino)butan-2-yl]benzamide
CID 30157647
2-methyl-N-[3-methyl-1-oxo-1-(4-propan-2-yloxyanilino)butan-2-yl]benzamide
CID 55748966
(2S)-2-amino-4-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]pentanamide
CID 119832107
2-methyl-3-(methylamino)-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide
CID 79203852
N-[1-[4-(2-methoxyethoxy)anilino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 55658200
2,6-difluoro-N-[(2S)-3-methyl-1-[4-[(2-morpholin-4-ylacetyl)amino]anilino]-1-oxobutan-2-yl]benzamide
CID 30779690
N-[(2R)-1-(1,3-benzodioxol-5-ylamino)-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 2582323
N-[1-(1,3-benzodioxol-5-ylamino)-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 51147223
2-methyl-N-[(2S)-3-methyl-1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]benzamide
CID 9138694

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-methyl-1-[4-(morpholin-4-ylmethyl)anilino]-1-oxobutan-2-yl]benzamide?
The IUPAC name of 2-methyl-N-[3-methyl-1-[4-(morpholin-4-ylmethyl)anilino]-1-oxobutan-2-yl]benzamide (CID 78802635) is 2-methyl-N-[3-methyl-1-[4-(morpholin-4-ylmethyl)anilino]-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 2-methyl-N-[3-methyl-1-[4-(morpholin-4-ylmethyl)anilino]-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 2-methyl-N-[3-methyl-1-[4-(morpholin-4-ylmethyl)anilino]-1-oxobutan-2-yl]benzamide is Cc1ccccc1C(=O)NC(C(=O)Nc1ccc(CN2CCOCC2)cc1)C(C)C.
What is the InChIKey of 2-methyl-N-[3-methyl-1-[4-(morpholin-4-ylmethyl)anilino]-1-oxobutan-2-yl]benzamide?
The InChIKey is LENOOEGPVCYKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-17(2)22(26-23(28)21-7-5-4-6-18(21)3)24(29)25-20-10-8-19(9-11-20)16-27-12-14-30-15-13-27/h4-11,17,22H,12-16H2,1-3H3,(H,25,29)(H,26,28).
What are the key properties of 2-methyl-N-[3-methyl-1-[4-(morpholin-4-ylmethyl)anilino]-1-oxobutan-2-yl]benzamide?
2-methyl-N-[3-methyl-1-[4-(morpholin-4-ylmethyl)anilino]-1-oxobutan-2-yl]benzamide has a molecular weight of 409.53 g/mol, XLogP of 3.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-methyl-1-[4-(morpholin-4-ylmethyl)anilino]-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 78802635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).