3-methyl-N-[3-(4-morpholin-4-ylphenyl)propyl]benzamide

C21H26N2O2 — CID 16890049

IUPAC3-methyl-N-[3-(4-morpholin-4-ylphenyl)propyl]benzamide
SMILESCc1cccc(C(=O)NCCCc2ccc(N3CCOCC3)cc2)c1
InChIInChI=1S/C21H26N2O2/c1-17-4-2-6-19(16-17)21(24)22-11-3-5-18-7-9-20(10-8-18)23-12-14-25-15-13-23/h2,4,6-10,16H,3,5,11-15H2,1H3,(H,22,24)
InChIKeyMAVMMIICCRDBDG-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.19
Rot. Bonds6

About 3-methyl-N-[3-(4-morpholin-4-ylphenyl)propyl]benzamide

3-methyl-N-[3-(4-morpholin-4-ylphenyl)propyl]benzamide (PubChem CID 16890049) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 3-methyl-N-[3-(4-morpholin-4-ylphenyl)propyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[3-(4-morpholin-4-ylphenyl)propyl]benzamide
PubChem CID16890049
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name3-methyl-N-[3-(4-morpholin-4-ylphenyl)propyl]benzamide
SMILESCc1cccc(C(=O)NCCCc2ccc(N3CCOCC3)cc2)c1
InChIInChI=1S/C21H26N2O2/c1-17-4-2-6-19(16-17)21(24)22-11-3-5-18-7-9-20(10-8-18)23-12-14-25-15-13-23/h2,4,6-10,16H,3,5,11-15H2,1H3,(H,22,24)
InChIKeyMAVMMIICCRDBDG-UHFFFAOYSA-N
XLogP3.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4-methoxyphenyl)propyl]-4-morpholin-4-ylbenzamide
CID 70702781
N-[3-(4-piperidin-1-ylphenyl)propyl]benzamide
CID 16890191
N-[3-[4-(azepan-1-yl)phenyl]propyl]benzamide
CID 16889785
N-[3-[4-(azepan-1-yl)phenyl]propyl]-3-nitrobenzamide
CID 16889762
N'-(2-morpholin-4-ylethyl)-N-[3-(4-morpholin-4-ylphenyl)propyl]oxamide
CID 16892160
3-(6-morpholin-4-ylpyridazin-3-yl)-N-(3-phenylpropyl)benzamide
CID 50816070
3-bromo-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
CID 110405123
3-iodo-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
CID 95130808
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-3-methylbenzamide
CID 42266695
N'-(3-methoxyphenyl)-N-[3-(4-morpholin-4-ylphenyl)propyl]oxamide
CID 16892181
N-[3-(4-methoxyphenyl)propyl]-3-morpholin-4-ylsulfonylbenzamide
CID 52713270
N-[3-(furan-2-yl)propyl]-4-morpholin-4-ylbenzamide
CID 53282150

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-(4-morpholin-4-ylphenyl)propyl]benzamide?
The IUPAC name of 3-methyl-N-[3-(4-morpholin-4-ylphenyl)propyl]benzamide (CID 16890049) is 3-methyl-N-[3-(4-morpholin-4-ylphenyl)propyl]benzamide.
What is the SMILES notation for 3-methyl-N-[3-(4-morpholin-4-ylphenyl)propyl]benzamide?
The canonical SMILES for 3-methyl-N-[3-(4-morpholin-4-ylphenyl)propyl]benzamide is Cc1cccc(C(=O)NCCCc2ccc(N3CCOCC3)cc2)c1.
What is the InChIKey of 3-methyl-N-[3-(4-morpholin-4-ylphenyl)propyl]benzamide?
The InChIKey is MAVMMIICCRDBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-17-4-2-6-19(16-17)21(24)22-11-3-5-18-7-9-20(10-8-18)23-12-14-25-15-13-23/h2,4,6-10,16H,3,5,11-15H2,1H3,(H,22,24).
What are the key properties of 3-methyl-N-[3-(4-morpholin-4-ylphenyl)propyl]benzamide?
3-methyl-N-[3-(4-morpholin-4-ylphenyl)propyl]benzamide has a molecular weight of 338.45 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-(4-morpholin-4-ylphenyl)propyl]benzamide is sourced from PubChem (CID 16890049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).