N-(5-methoxy-2-morpholin-4-ylphenyl)-3,4-dimethylbenzamide

C20H24N2O3 — CID 17027218

IUPACN-(5-methoxy-2-morpholin-4-ylphenyl)-3,4-dimethylbenzamide
SMILESCOc1ccc(N2CCOCC2)c(NC(=O)c2ccc(C)c(C)c2)c1
InChIInChI=1S/C20H24N2O3/c1-14-4-5-16(12-15(14)2)20(23)21-18-13-17(24-3)6-7-19(18)22-8-10-25-11-9-22/h4-7,12-13H,8-11H2,1-3H3,(H,21,23)
InChIKeyQQXHVNSURRBRLE-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.40
Rot. Bonds4

About N-(5-methoxy-2-morpholin-4-ylphenyl)-3,4-dimethylbenzamide

N-(5-methoxy-2-morpholin-4-ylphenyl)-3,4-dimethylbenzamide (PubChem CID 17027218) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-(5-methoxy-2-morpholin-4-ylphenyl)-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-(5-methoxy-2-morpholin-4-ylphenyl)-3,4-dimethylbenzamide
PubChem CID17027218
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-(5-methoxy-2-morpholin-4-ylphenyl)-3,4-dimethylbenzamide
SMILESCOc1ccc(N2CCOCC2)c(NC(=O)c2ccc(C)c(C)c2)c1
InChIInChI=1S/C20H24N2O3/c1-14-4-5-16(12-15(14)2)20(23)21-18-13-17(24-3)6-7-19(18)22-8-10-25-11-9-22/h4-7,12-13H,8-11H2,1-3H3,(H,21,23)
InChIKeyQQXHVNSURRBRLE-UHFFFAOYSA-N
XLogP3.40
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-N-(5-methoxy-2-morpholin-4-ylphenyl)benzamide
CID 6473304
N-(5-methoxy-2-morpholin-4-ylphenyl)pyridine-3-carboxamide
CID 6473397
4-methoxy-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)benzamide
CID 110400402
N-(5-fluoro-2-morpholin-4-ylphenyl)-3-methoxybenzamide
CID 113092691
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-methoxy-4-methylbenzamide
CID 26690586
N-(5-chloro-2-morpholin-4-ylphenyl)-3,5-dimethoxybenzamide
CID 4034494
3-methoxy-4-methyl-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)benzamide
CID 55411892
4-methoxy-N-[2-morpholin-4-yl-5-(tetrazol-1-yl)phenyl]benzamide
CID 50776826
3-[(4-methylbenzoyl)amino]-4-morpholin-4-ylbenzoic acid
CID 53052846
3-chloro-4-methyl-N-(2-morpholin-4-ylphenyl)benzamide
CID 898180
3-amino-4-methyl-N-(2-morpholin-4-ylphenyl)benzamide
CID 28723668
4-hydroxy-3-methoxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
CID 993001

Frequently Asked Questions

What is the IUPAC name of N-(5-methoxy-2-morpholin-4-ylphenyl)-3,4-dimethylbenzamide?
The IUPAC name of N-(5-methoxy-2-morpholin-4-ylphenyl)-3,4-dimethylbenzamide (CID 17027218) is N-(5-methoxy-2-morpholin-4-ylphenyl)-3,4-dimethylbenzamide.
What is the SMILES notation for N-(5-methoxy-2-morpholin-4-ylphenyl)-3,4-dimethylbenzamide?
The canonical SMILES for N-(5-methoxy-2-morpholin-4-ylphenyl)-3,4-dimethylbenzamide is COc1ccc(N2CCOCC2)c(NC(=O)c2ccc(C)c(C)c2)c1.
What is the InChIKey of N-(5-methoxy-2-morpholin-4-ylphenyl)-3,4-dimethylbenzamide?
The InChIKey is QQXHVNSURRBRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-14-4-5-16(12-15(14)2)20(23)21-18-13-17(24-3)6-7-19(18)22-8-10-25-11-9-22/h4-7,12-13H,8-11H2,1-3H3,(H,21,23).
What are the key properties of N-(5-methoxy-2-morpholin-4-ylphenyl)-3,4-dimethylbenzamide?
N-(5-methoxy-2-morpholin-4-ylphenyl)-3,4-dimethylbenzamide has a molecular weight of 340.42 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methoxy-2-morpholin-4-ylphenyl)-3,4-dimethylbenzamide is sourced from PubChem (CID 17027218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).