3-methoxy-N-(4-morpholin-4-ylphenyl)benzamide

C18H20N2O3 — CID 795014

IUPAC3-methoxy-N-(4-morpholin-4-ylphenyl)benzamide
SMILESCOc1cccc(C(=O)Nc2ccc(N3CCOCC3)cc2)c1
InChIInChI=1S/C18H20N2O3/c1-22-17-4-2-3-14(13-17)18(21)19-15-5-7-16(8-6-15)20-9-11-23-12-10-20/h2-8,13H,9-12H2,1H3,(H,19,21)
InChIKeyLYGBUZAVLPEGPD-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.78
Rot. Bonds4

About 3-methoxy-N-(4-morpholin-4-ylphenyl)benzamide

3-methoxy-N-(4-morpholin-4-ylphenyl)benzamide (PubChem CID 795014) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 3-methoxy-N-(4-morpholin-4-ylphenyl)benzamide.

Molecular Properties

Compound Name3-methoxy-N-(4-morpholin-4-ylphenyl)benzamide
PubChem CID795014
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name3-methoxy-N-(4-morpholin-4-ylphenyl)benzamide
SMILESCOc1cccc(C(=O)Nc2ccc(N3CCOCC3)cc2)c1
InChIInChI=1S/C18H20N2O3/c1-22-17-4-2-3-14(13-17)18(21)19-15-5-7-16(8-6-15)20-9-11-23-12-10-20/h2-8,13H,9-12H2,1H3,(H,19,21)
InChIKeyLYGBUZAVLPEGPD-UHFFFAOYSA-N
XLogP2.78
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]-3-methoxybenzamide
CID 6723845
N-(3-amino-4-morpholin-4-ylphenyl)-3-methoxybenzamide
CID 28688979
ethyl 4-[4-[(3-methoxybenzoyl)amino]phenyl]piperazine-1-carboxylate
CID 112984389
N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]-3-methoxybenzamide
CID 3161473
3-[4-(4-methoxyphenoxy)pyrimidin-2-yl]-N-(4-morpholin-4-ylphenyl)benzamide
CID 46386528
3-methoxy-N-[4-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]phenyl]benzamide
CID 1057837
methyl 3-[(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]oxybenzoate
CID 7989999
2-[(3-methoxyphenyl)methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 2404248
N-(5-fluoro-2-morpholin-4-ylphenyl)-3-methoxybenzamide
CID 113092691
3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]-N-(4-morpholin-4-ylphenyl)benzamide
CID 16552244
N-(4-aminophenyl)-3-methoxybenzamide
CID 8566724
3-[methyl(methylsulfonyl)amino]-N-(4-morpholin-4-ylphenyl)benzamide
CID 100524251

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(4-morpholin-4-ylphenyl)benzamide?
The IUPAC name of 3-methoxy-N-(4-morpholin-4-ylphenyl)benzamide (CID 795014) is 3-methoxy-N-(4-morpholin-4-ylphenyl)benzamide.
What is the SMILES notation for 3-methoxy-N-(4-morpholin-4-ylphenyl)benzamide?
The canonical SMILES for 3-methoxy-N-(4-morpholin-4-ylphenyl)benzamide is COc1cccc(C(=O)Nc2ccc(N3CCOCC3)cc2)c1.
What is the InChIKey of 3-methoxy-N-(4-morpholin-4-ylphenyl)benzamide?
The InChIKey is LYGBUZAVLPEGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-22-17-4-2-3-14(13-17)18(21)19-15-5-7-16(8-6-15)20-9-11-23-12-10-20/h2-8,13H,9-12H2,1H3,(H,19,21).
What are the key properties of 3-methoxy-N-(4-morpholin-4-ylphenyl)benzamide?
3-methoxy-N-(4-morpholin-4-ylphenyl)benzamide has a molecular weight of 312.37 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(4-morpholin-4-ylphenyl)benzamide is sourced from PubChem (CID 795014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).