N-[(1S)-1-(4-methylphenyl)propyl]-4-morpholin-4-ylbenzamide

C21H26N2O2 — CID 94018845

IUPACN-[(1S)-1-(4-methylphenyl)propyl]-4-morpholin-4-ylbenzamide
SMILESCC[C@H](NC(=O)c1ccc(N2CCOCC2)cc1)c1ccc(C)cc1
InChIInChI=1S/C21H26N2O2/c1-3-20(17-6-4-16(2)5-7-17)22-21(24)18-8-10-19(11-9-18)23-12-14-25-15-13-23/h4-11,20H,3,12-15H2,1-2H3,(H,22,24)/t20-/m0/s1
InChIKeyKOUQTHVLLRBJJK-FQEVSTJZSA-N
MW338.45 g/mol
LogP3.71
Rot. Bonds5

About N-[(1S)-1-(4-methylphenyl)propyl]-4-morpholin-4-ylbenzamide

N-[(1S)-1-(4-methylphenyl)propyl]-4-morpholin-4-ylbenzamide (PubChem CID 94018845) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[(1S)-1-(4-methylphenyl)propyl]-4-morpholin-4-ylbenzamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-methylphenyl)propyl]-4-morpholin-4-ylbenzamide
PubChem CID94018845
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-[(1S)-1-(4-methylphenyl)propyl]-4-morpholin-4-ylbenzamide
SMILESCC[C@H](NC(=O)c1ccc(N2CCOCC2)cc1)c1ccc(C)cc1
InChIInChI=1S/C21H26N2O2/c1-3-20(17-6-4-16(2)5-7-17)22-21(24)18-8-10-19(11-9-18)23-12-14-25-15-13-23/h4-11,20H,3,12-15H2,1-2H3,(H,22,24)/t20-/m0/s1
InChIKeyKOUQTHVLLRBJJK-FQEVSTJZSA-N
XLogP3.71
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 ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-methoxy-3-methylphenyl)propyl]-4-morpholin-4-ylbenzamide
CID 133161272
N-butan-2-yl-4-morpholin-4-ylbenzamide
CID 47147969
N-[(1R)-1-(4-methylphenyl)propyl]-3-(morpholin-4-ylmethyl)benzamide
CID 94013067
4-chloro-N-[(1R)-1-(4-methylphenyl)propyl]benzamide
CID 841144
methyl 4-[[(1S)-1-(4-methylphenyl)propyl]carbamoyl]benzoate
CID 9297354
N-[1-(4-methylphenyl)propyl]-4-phenylbenzamide
CID 17328245
4-(azepan-1-ylmethyl)-N-[(1S)-1-(4-methylphenyl)propyl]benzamide
CID 94024816
4-(dimethylamino)-N-[1-(4-methylphenyl)propyl]benzamide
CID 24543534
N-[1-(4-methylsulfonylphenyl)propyl]-4-morpholin-4-ylsulfonylbenzamide
CID 133189658
4-(diethylaminomethyl)-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 42958898
3,4-dimethyl-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 9144477
N-[(1S)-1-(4-methoxyphenyl)propyl]-4-(morpholin-4-ylmethyl)benzamide
CID 28579988

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-methylphenyl)propyl]-4-morpholin-4-ylbenzamide?
The IUPAC name of N-[(1S)-1-(4-methylphenyl)propyl]-4-morpholin-4-ylbenzamide (CID 94018845) is N-[(1S)-1-(4-methylphenyl)propyl]-4-morpholin-4-ylbenzamide.
What is the SMILES notation for N-[(1S)-1-(4-methylphenyl)propyl]-4-morpholin-4-ylbenzamide?
The canonical SMILES for N-[(1S)-1-(4-methylphenyl)propyl]-4-morpholin-4-ylbenzamide is CC[C@H](NC(=O)c1ccc(N2CCOCC2)cc1)c1ccc(C)cc1.
What is the InChIKey of N-[(1S)-1-(4-methylphenyl)propyl]-4-morpholin-4-ylbenzamide?
The InChIKey is KOUQTHVLLRBJJK-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-3-20(17-6-4-16(2)5-7-17)22-21(24)18-8-10-19(11-9-18)23-12-14-25-15-13-23/h4-11,20H,3,12-15H2,1-2H3,(H,22,24)/t20-/m0/s1.
What are the key properties of N-[(1S)-1-(4-methylphenyl)propyl]-4-morpholin-4-ylbenzamide?
N-[(1S)-1-(4-methylphenyl)propyl]-4-morpholin-4-ylbenzamide has a molecular weight of 338.45 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-methylphenyl)propyl]-4-morpholin-4-ylbenzamide is sourced from PubChem (CID 94018845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).