N-[(4-methyl-5-oxomorpholin-2-yl)methyl]-4-(4-propylphenyl)benzamide

C22H26N2O3 — CID 90651533

IUPACN-[(4-methyl-5-oxomorpholin-2-yl)methyl]-4-(4-propylphenyl)benzamide
SMILESCCCc1ccc(-c2ccc(C(=O)NCC3CN(C)C(=O)CO3)cc2)cc1
InChIInChI=1S/C22H26N2O3/c1-3-4-16-5-7-17(8-6-16)18-9-11-19(12-10-18)22(26)23-13-20-14-24(2)21(25)15-27-20/h5-12,20H,3-4,13-15H2,1-2H3,(H,23,26)
InChIKeyMRUBJANVGVPXMD-UHFFFAOYSA-N
MW366.46 g/mol
LogP2.89
Rot. Bonds6

About N-[(4-methyl-5-oxomorpholin-2-yl)methyl]-4-(4-propylphenyl)benzamide

N-[(4-methyl-5-oxomorpholin-2-yl)methyl]-4-(4-propylphenyl)benzamide (PubChem CID 90651533) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-[(4-methyl-5-oxomorpholin-2-yl)methyl]-4-(4-propylphenyl)benzamide.

Molecular Properties

Compound NameN-[(4-methyl-5-oxomorpholin-2-yl)methyl]-4-(4-propylphenyl)benzamide
PubChem CID90651533
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC NameN-[(4-methyl-5-oxomorpholin-2-yl)methyl]-4-(4-propylphenyl)benzamide
SMILESCCCc1ccc(-c2ccc(C(=O)NCC3CN(C)C(=O)CO3)cc2)cc1
InChIInChI=1S/C22H26N2O3/c1-3-4-16-5-7-17(8-6-16)18-9-11-19(12-10-18)22(26)23-13-20-14-24(2)21(25)15-27-20/h5-12,20H,3-4,13-15H2,1-2H3,(H,23,26)
InChIKeyMRUBJANVGVPXMD-UHFFFAOYSA-N
XLogP2.89
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzamide
CID 110710086
2-(4-fluorophenyl)-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]acetamide
CID 110710097
N-[(4-methyl-5-oxomorpholin-2-yl)methyl]-4-(2-methylquinolin-5-yl)benzamide
CID 163318095
N-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]-4-methylbenzamide
CID 110367703
N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-(4-propylphenyl)benzamide
CID 121499620
3,6-dichloro-2-methoxy-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzamide
CID 110710125
N-[[(3S,8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methyl]-4-butylbenzamide
CID 95157082
4-(butylsulfanylmethyl)-5-methyl-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]furan-2-carboxamide
CID 90649760
3-(1,3-dioxoisoindol-2-yl)-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]propanamide
CID 110710106
4-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 49094811
1-methyl-N-[[(2S)-4-(2-methylpropyl)-5-oxomorpholin-2-yl]methyl]pyrazole-4-carboxamide
CID 164637756
N-[[4-(3-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]-4-methylbenzamide
CID 110367624

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-5-oxomorpholin-2-yl)methyl]-4-(4-propylphenyl)benzamide?
The IUPAC name of N-[(4-methyl-5-oxomorpholin-2-yl)methyl]-4-(4-propylphenyl)benzamide (CID 90651533) is N-[(4-methyl-5-oxomorpholin-2-yl)methyl]-4-(4-propylphenyl)benzamide.
What is the SMILES notation for N-[(4-methyl-5-oxomorpholin-2-yl)methyl]-4-(4-propylphenyl)benzamide?
The canonical SMILES for N-[(4-methyl-5-oxomorpholin-2-yl)methyl]-4-(4-propylphenyl)benzamide is CCCc1ccc(-c2ccc(C(=O)NCC3CN(C)C(=O)CO3)cc2)cc1.
What is the InChIKey of N-[(4-methyl-5-oxomorpholin-2-yl)methyl]-4-(4-propylphenyl)benzamide?
The InChIKey is MRUBJANVGVPXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-3-4-16-5-7-17(8-6-16)18-9-11-19(12-10-18)22(26)23-13-20-14-24(2)21(25)15-27-20/h5-12,20H,3-4,13-15H2,1-2H3,(H,23,26).
What are the key properties of N-[(4-methyl-5-oxomorpholin-2-yl)methyl]-4-(4-propylphenyl)benzamide?
N-[(4-methyl-5-oxomorpholin-2-yl)methyl]-4-(4-propylphenyl)benzamide has a molecular weight of 366.46 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-5-oxomorpholin-2-yl)methyl]-4-(4-propylphenyl)benzamide is sourced from PubChem (CID 90651533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).