3-(2,2-dimethylpropanoylamino)-N-(2-morpholin-4-yl-1-phenylethyl)benzamide

C24H31N3O3 — CID 134050340

IUPAC3-(2,2-dimethylpropanoylamino)-N-(2-morpholin-4-yl-1-phenylethyl)benzamide
SMILESCC(C)(C)C(=O)Nc1cccc(C(=O)NC(CN2CCOCC2)c2ccccc2)c1
InChIInChI=1S/C24H31N3O3/c1-24(2,3)23(29)25-20-11-7-10-19(16-20)22(28)26-21(18-8-5-4-6-9-18)17-27-12-14-30-15-13-27/h4-11,16,21H,12-15,17H2,1-3H3,(H,25,29)(H,26,28)
InChIKeyKLLIOKLDAAMFCY-UHFFFAOYSA-N
MW409.53 g/mol
LogP3.47
Rot. Bonds6

About 3-(2,2-dimethylpropanoylamino)-N-(2-morpholin-4-yl-1-phenylethyl)benzamide

3-(2,2-dimethylpropanoylamino)-N-(2-morpholin-4-yl-1-phenylethyl)benzamide (PubChem CID 134050340) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is 3-(2,2-dimethylpropanoylamino)-N-(2-morpholin-4-yl-1-phenylethyl)benzamide.

Molecular Properties

Compound Name3-(2,2-dimethylpropanoylamino)-N-(2-morpholin-4-yl-1-phenylethyl)benzamide
PubChem CID134050340
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Name3-(2,2-dimethylpropanoylamino)-N-(2-morpholin-4-yl-1-phenylethyl)benzamide
SMILESCC(C)(C)C(=O)Nc1cccc(C(=O)NC(CN2CCOCC2)c2ccccc2)c1
InChIInChI=1S/C24H31N3O3/c1-24(2,3)23(29)25-20-11-7-10-19(16-20)22(28)26-21(18-8-5-4-6-9-18)17-27-12-14-30-15-13-27/h4-11,16,21H,12-15,17H2,1-3H3,(H,25,29)(H,26,28)
InChIKeyKLLIOKLDAAMFCY-UHFFFAOYSA-N
XLogP3.47
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetamido-N-(2-morpholin-4-yl-1-phenylethyl)benzamide
CID 18166742
3-ethoxy-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 39835171
3,5-dimethyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 25485403
N-[(1R)-2-morpholin-4-yl-1-phenylethyl]-3-nitrobenzamide
CID 9148292
N-[(1S)-2-morpholin-4-yl-1-phenylethyl]-3-nitrobenzamide
CID 9148289
N-[(1S)-2-morpholin-4-yl-1-phenylethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9150722
3-[(4-methylphenyl)sulfamoyl]-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 30102988
4-methylsulfanyl-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 9149987
5-bromo-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]pyridine-3-carboxamide
CID 9148597
[(1S)-2-morpholin-4-yl-1-phenylethyl]carbamic acid
CID 68931667
3-(benzylsulfamoyl)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 31444209
4-bromo-3,5-dimethoxy-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 25485450

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropanoylamino)-N-(2-morpholin-4-yl-1-phenylethyl)benzamide?
The IUPAC name of 3-(2,2-dimethylpropanoylamino)-N-(2-morpholin-4-yl-1-phenylethyl)benzamide (CID 134050340) is 3-(2,2-dimethylpropanoylamino)-N-(2-morpholin-4-yl-1-phenylethyl)benzamide.
What is the SMILES notation for 3-(2,2-dimethylpropanoylamino)-N-(2-morpholin-4-yl-1-phenylethyl)benzamide?
The canonical SMILES for 3-(2,2-dimethylpropanoylamino)-N-(2-morpholin-4-yl-1-phenylethyl)benzamide is CC(C)(C)C(=O)Nc1cccc(C(=O)NC(CN2CCOCC2)c2ccccc2)c1.
What is the InChIKey of 3-(2,2-dimethylpropanoylamino)-N-(2-morpholin-4-yl-1-phenylethyl)benzamide?
The InChIKey is KLLIOKLDAAMFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-24(2,3)23(29)25-20-11-7-10-19(16-20)22(28)26-21(18-8-5-4-6-9-18)17-27-12-14-30-15-13-27/h4-11,16,21H,12-15,17H2,1-3H3,(H,25,29)(H,26,28).
What are the key properties of 3-(2,2-dimethylpropanoylamino)-N-(2-morpholin-4-yl-1-phenylethyl)benzamide?
3-(2,2-dimethylpropanoylamino)-N-(2-morpholin-4-yl-1-phenylethyl)benzamide has a molecular weight of 409.53 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropanoylamino)-N-(2-morpholin-4-yl-1-phenylethyl)benzamide is sourced from PubChem (CID 134050340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).