4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide

C24H32N2O3 — CID 55622665

IUPAC4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide
SMILESCOc1ccc(C)cc1C(C)NC(=O)c1ccc(CN2CC(C)OC(C)C2)cc1
InChIInChI=1S/C24H32N2O3/c1-16-6-11-23(28-5)22(12-16)19(4)25-24(27)21-9-7-20(8-10-21)15-26-13-17(2)29-18(3)14-26/h6-12,17-19H,13-15H2,1-5H3,(H,25,27)
InChIKeyAQABSAHNEIMODV-UHFFFAOYSA-N
MW396.53 g/mol
LogP4.10
Rot. Bonds6

About 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide

4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide (PubChem CID 55622665) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide
PubChem CID55622665
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC Name4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide
SMILESCOc1ccc(C)cc1C(C)NC(=O)c1ccc(CN2CC(C)OC(C)C2)cc1
InChIInChI=1S/C24H32N2O3/c1-16-6-11-23(28-5)22(12-16)19(4)25-24(27)21-9-7-20(8-10-21)15-26-13-17(2)29-18(3)14-26/h6-12,17-19H,13-15H2,1-5H3,(H,25,27)
InChIKeyAQABSAHNEIMODV-UHFFFAOYSA-N
XLogP4.10
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S)-2-[[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]benzoyl]amino]-3-methylpentanoic acid
CID 124684005
4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]benzamide
CID 100844657
N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-4-(propan-2-yloxymethyl)benzamide
CID 9264228
(2S)-2-[[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]benzoyl]amino]-3-methylbutanoic acid
CID 124682570
N-[1-(2-methoxy-5-methylphenyl)ethyl]-3,4-dimethylbenzamide
CID 84966349
N-(dicyclopropylmethyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide
CID 47027087
N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-4-(trifluoromethyl)benzamide
CID 9048385
3,5-difluoro-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 9262765
4-benzamido-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 134006936
4-cyano-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 9262341
N-(1-amino-4-methylpentan-2-yl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide
CID 119586982
N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9262400

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide?
The IUPAC name of 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide (CID 55622665) is 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide.
What is the SMILES notation for 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide?
The canonical SMILES for 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide is COc1ccc(C)cc1C(C)NC(=O)c1ccc(CN2CC(C)OC(C)C2)cc1.
What is the InChIKey of 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide?
The InChIKey is AQABSAHNEIMODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3/c1-16-6-11-23(28-5)22(12-16)19(4)25-24(27)21-9-7-20(8-10-21)15-26-13-17(2)29-18(3)14-26/h6-12,17-19H,13-15H2,1-5H3,(H,25,27).
What are the key properties of 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide?
4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide has a molecular weight of 396.53 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide is sourced from PubChem (CID 55622665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).