3,5-dimethyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide

C21H26N2O2 — CID 25485403

IUPAC3,5-dimethyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide
SMILESCc1cc(C)cc(C(=O)N[C@H](CN2CCOCC2)c2ccccc2)c1
InChIInChI=1S/C21H26N2O2/c1-16-12-17(2)14-19(13-16)21(24)22-20(18-6-4-3-5-7-18)15-23-8-10-25-11-9-23/h3-7,12-14,20H,8-11,15H2,1-2H3,(H,22,24)/t20-/m1/s1
InChIKeySHNXPWFOCXUSKL-HXUWFJFHSA-N
MW338.45 g/mol
LogP3.11
Rot. Bonds5

About 3,5-dimethyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide

3,5-dimethyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide (PubChem CID 25485403) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 3,5-dimethyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide
PubChem CID25485403
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name3,5-dimethyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide
SMILESCc1cc(C)cc(C(=O)N[C@H](CN2CCOCC2)c2ccccc2)c1
InChIInChI=1S/C21H26N2O2/c1-16-12-17(2)14-19(13-16)21(24)22-20(18-6-4-3-5-7-18)15-23-8-10-25-11-9-23/h3-7,12-14,20H,8-11,15H2,1-2H3,(H,22,24)/t20-/m1/s1
InChIKeySHNXPWFOCXUSKL-HXUWFJFHSA-N
XLogP3.11
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,5-dimethyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1S)-2-morpholin-4-yl-1-phenylethyl]carbamic acid
CID 68931667
4-bromo-3,5-dimethoxy-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 25485450
3-methyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]-4-nitrobenzamide
CID 9148512
4-acetamido-N-(2-morpholin-4-yl-1-phenylethyl)benzamide
CID 18166742
4-methylsulfanyl-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 9149987
3-ethoxy-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 39835171
2-hydroxy-N-(2-morpholin-4-yl-1-phenylethyl)benzamide
CID 86918289
6-methyl-N-(2-morpholin-4-yl-1-phenylethyl)-3,4-dihydro-2H-pyran-5-carboxamide
CID 102553631
3,4-dimethyl-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 9144477
4-(acetamidomethyl)-N-(2-morpholin-4-yl-1-phenylethyl)benzamide
CID 18166767
5-bromo-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]pyridine-3-carboxamide
CID 9148597
3-[(4-methylphenyl)sulfamoyl]-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 30102988

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide?
The IUPAC name of 3,5-dimethyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide (CID 25485403) is 3,5-dimethyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide.
What is the SMILES notation for 3,5-dimethyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide?
The canonical SMILES for 3,5-dimethyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide is Cc1cc(C)cc(C(=O)N[C@H](CN2CCOCC2)c2ccccc2)c1.
What is the InChIKey of 3,5-dimethyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide?
The InChIKey is SHNXPWFOCXUSKL-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-16-12-17(2)14-19(13-16)21(24)22-20(18-6-4-3-5-7-18)15-23-8-10-25-11-9-23/h3-7,12-14,20H,8-11,15H2,1-2H3,(H,22,24)/t20-/m1/s1.
What are the key properties of 3,5-dimethyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide?
3,5-dimethyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide has a molecular weight of 338.45 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide is sourced from PubChem (CID 25485403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).