N-[1-(4-methoxy-3-methylphenyl)propyl]-4-morpholin-4-ylbenzamide

C22H28N2O3 — CID 133161272

IUPACN-[1-(4-methoxy-3-methylphenyl)propyl]-4-morpholin-4-ylbenzamide
SMILESCCC(NC(=O)c1ccc(N2CCOCC2)cc1)c1ccc(OC)c(C)c1
InChIInChI=1S/C22H28N2O3/c1-4-20(18-7-10-21(26-3)16(2)15-18)23-22(25)17-5-8-19(9-6-17)24-11-13-27-14-12-24/h5-10,15,20H,4,11-14H2,1-3H3,(H,23,25)
InChIKeyRHDKVRHIRJCTSV-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.72
Rot. Bonds6

About N-[1-(4-methoxy-3-methylphenyl)propyl]-4-morpholin-4-ylbenzamide

N-[1-(4-methoxy-3-methylphenyl)propyl]-4-morpholin-4-ylbenzamide (PubChem CID 133161272) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[1-(4-methoxy-3-methylphenyl)propyl]-4-morpholin-4-ylbenzamide.

Molecular Properties

Compound NameN-[1-(4-methoxy-3-methylphenyl)propyl]-4-morpholin-4-ylbenzamide
PubChem CID133161272
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC NameN-[1-(4-methoxy-3-methylphenyl)propyl]-4-morpholin-4-ylbenzamide
SMILESCCC(NC(=O)c1ccc(N2CCOCC2)cc1)c1ccc(OC)c(C)c1
InChIInChI=1S/C22H28N2O3/c1-4-20(18-7-10-21(26-3)16(2)15-18)23-22(25)17-5-8-19(9-6-17)24-11-13-27-14-12-24/h5-10,15,20H,4,11-14H2,1-3H3,(H,23,25)
InChIKeyRHDKVRHIRJCTSV-UHFFFAOYSA-N
XLogP3.72
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-4-morpholin-4-ylsulfonylbenzamide
CID 100680617
N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]-4-morpholin-4-ylsulfonylbenzamide
CID 100680604
N-[(1S)-1-(4-methylphenyl)propyl]-4-morpholin-4-ylbenzamide
CID 94018845
N-[1-(4-methoxy-3-methylphenyl)propyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 133162026
4-methoxy-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide
CID 133210902
4-iodo-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]benzamide
CID 100684625
N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]-4-morpholin-4-ylsulfonylbenzamide
CID 100679907
N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 100683262
N-[1-(4-methoxy-3-methylphenyl)propyl]-4-propoxybenzamide
CID 133160886
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide
CID 133210076
N-[1-(3,4-dimethoxyphenyl)propyl]-3,4-dimethylbenzamide
CID 133201858
3-(azepan-1-ylsulfonyl)-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]-4-methylbenzamide
CID 100531608

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxy-3-methylphenyl)propyl]-4-morpholin-4-ylbenzamide?
The IUPAC name of N-[1-(4-methoxy-3-methylphenyl)propyl]-4-morpholin-4-ylbenzamide (CID 133161272) is N-[1-(4-methoxy-3-methylphenyl)propyl]-4-morpholin-4-ylbenzamide.
What is the SMILES notation for N-[1-(4-methoxy-3-methylphenyl)propyl]-4-morpholin-4-ylbenzamide?
The canonical SMILES for N-[1-(4-methoxy-3-methylphenyl)propyl]-4-morpholin-4-ylbenzamide is CCC(NC(=O)c1ccc(N2CCOCC2)cc1)c1ccc(OC)c(C)c1.
What is the InChIKey of N-[1-(4-methoxy-3-methylphenyl)propyl]-4-morpholin-4-ylbenzamide?
The InChIKey is RHDKVRHIRJCTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-4-20(18-7-10-21(26-3)16(2)15-18)23-22(25)17-5-8-19(9-6-17)24-11-13-27-14-12-24/h5-10,15,20H,4,11-14H2,1-3H3,(H,23,25).
What are the key properties of N-[1-(4-methoxy-3-methylphenyl)propyl]-4-morpholin-4-ylbenzamide?
N-[1-(4-methoxy-3-methylphenyl)propyl]-4-morpholin-4-ylbenzamide has a molecular weight of 368.48 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxy-3-methylphenyl)propyl]-4-morpholin-4-ylbenzamide is sourced from PubChem (CID 133161272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).