N-[(1R)-1-(4-methylphenyl)propyl]-3-(morpholin-4-ylmethyl)benzamide

C22H28N2O2 — CID 94013067

IUPACN-[(1R)-1-(4-methylphenyl)propyl]-3-(morpholin-4-ylmethyl)benzamide
SMILESCC[C@@H](NC(=O)c1cccc(CN2CCOCC2)c1)c1ccc(C)cc1
InChIInChI=1S/C22H28N2O2/c1-3-21(19-9-7-17(2)8-10-19)23-22(25)20-6-4-5-18(15-20)16-24-11-13-26-14-12-24/h4-10,15,21H,3,11-14,16H2,1-2H3,(H,23,25)/t21-/m1/s1
InChIKeyCOYONOSKJFBVPG-OAQYLSRUSA-N
MW352.48 g/mol
LogP3.71
Rot. Bonds6

About N-[(1R)-1-(4-methylphenyl)propyl]-3-(morpholin-4-ylmethyl)benzamide

N-[(1R)-1-(4-methylphenyl)propyl]-3-(morpholin-4-ylmethyl)benzamide (PubChem CID 94013067) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-[(1R)-1-(4-methylphenyl)propyl]-3-(morpholin-4-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-methylphenyl)propyl]-3-(morpholin-4-ylmethyl)benzamide
PubChem CID94013067
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC NameN-[(1R)-1-(4-methylphenyl)propyl]-3-(morpholin-4-ylmethyl)benzamide
SMILESCC[C@@H](NC(=O)c1cccc(CN2CCOCC2)c1)c1ccc(C)cc1
InChIInChI=1S/C22H28N2O2/c1-3-21(19-9-7-17(2)8-10-19)23-22(25)20-6-4-5-18(15-20)16-24-11-13-26-14-12-24/h4-10,15,21H,3,11-14,16H2,1-2H3,(H,23,25)/t21-/m1/s1
InChIKeyCOYONOSKJFBVPG-OAQYLSRUSA-N
XLogP3.71
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzhydryl-3-(morpholin-4-ylmethyl)benzamide
CID 43908479
N-[(1S)-1-(4-methylphenyl)propyl]-4-morpholin-4-ylbenzamide
CID 94018845
N-[(1S)-1-(4-methoxyphenyl)propyl]-4-(morpholin-4-ylmethyl)benzamide
CID 28579988
4-(azepan-1-ylmethyl)-N-[(1S)-1-(4-methylphenyl)propyl]benzamide
CID 94024816
N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-(piperidin-1-ylmethyl)benzamide
CID 24654813
3,4-dimethyl-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 9144477
1-[(3-methylphenyl)methyl]-N-[(1R)-1-(4-methylphenyl)propyl]piperidine-4-carboxamide
CID 94024759
N-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3-(morpholin-4-ylmethyl)benzamide
CID 56553400
1-[1-(4-methoxyphenyl)propyl]-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 60548027
bis[3-(morpholin-4-ylmethyl)phenyl]methanone
CID 152548032
3-(morpholin-4-ylmethyl)-N-pentylbenzamide
CID 92685635
3-(morpholin-4-ylmethyl)-N-[(2R)-2-phenylpropyl]benzamide
CID 95237190

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-methylphenyl)propyl]-3-(morpholin-4-ylmethyl)benzamide?
The IUPAC name of N-[(1R)-1-(4-methylphenyl)propyl]-3-(morpholin-4-ylmethyl)benzamide (CID 94013067) is N-[(1R)-1-(4-methylphenyl)propyl]-3-(morpholin-4-ylmethyl)benzamide.
What is the SMILES notation for N-[(1R)-1-(4-methylphenyl)propyl]-3-(morpholin-4-ylmethyl)benzamide?
The canonical SMILES for N-[(1R)-1-(4-methylphenyl)propyl]-3-(morpholin-4-ylmethyl)benzamide is CC[C@@H](NC(=O)c1cccc(CN2CCOCC2)c1)c1ccc(C)cc1.
What is the InChIKey of N-[(1R)-1-(4-methylphenyl)propyl]-3-(morpholin-4-ylmethyl)benzamide?
The InChIKey is COYONOSKJFBVPG-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-3-21(19-9-7-17(2)8-10-19)23-22(25)20-6-4-5-18(15-20)16-24-11-13-26-14-12-24/h4-10,15,21H,3,11-14,16H2,1-2H3,(H,23,25)/t21-/m1/s1.
What are the key properties of N-[(1R)-1-(4-methylphenyl)propyl]-3-(morpholin-4-ylmethyl)benzamide?
N-[(1R)-1-(4-methylphenyl)propyl]-3-(morpholin-4-ylmethyl)benzamide has a molecular weight of 352.48 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-methylphenyl)propyl]-3-(morpholin-4-ylmethyl)benzamide is sourced from PubChem (CID 94013067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).