3,4-dimethoxy-N-[4-(2-morpholin-4-ylethylamino)phenyl]benzamide

C21H27N3O4 — CID 112981431

IUPAC3,4-dimethoxy-N-[4-(2-morpholin-4-ylethylamino)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(NCCN3CCOCC3)cc2)cc1OC
InChIInChI=1S/C21H27N3O4/c1-26-19-8-3-16(15-20(19)27-2)21(25)23-18-6-4-17(5-7-18)22-9-10-24-11-13-28-14-12-24/h3-8,15,22H,9-14H2,1-2H3,(H,23,25)
InChIKeyDAFMYKPIARLCPS-UHFFFAOYSA-N
MW385.46 g/mol
LogP2.70
Rot. Bonds8

About 3,4-dimethoxy-N-[4-(2-morpholin-4-ylethylamino)phenyl]benzamide

3,4-dimethoxy-N-[4-(2-morpholin-4-ylethylamino)phenyl]benzamide (PubChem CID 112981431) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[4-(2-morpholin-4-ylethylamino)phenyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[4-(2-morpholin-4-ylethylamino)phenyl]benzamide
PubChem CID112981431
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC Name3,4-dimethoxy-N-[4-(2-morpholin-4-ylethylamino)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(NCCN3CCOCC3)cc2)cc1OC
InChIInChI=1S/C21H27N3O4/c1-26-19-8-3-16(15-20(19)27-2)21(25)23-18-6-4-17(5-7-18)22-9-10-24-11-13-28-14-12-24/h3-8,15,22H,9-14H2,1-2H3,(H,23,25)
InChIKeyDAFMYKPIARLCPS-UHFFFAOYSA-N
XLogP2.70
TPSA72.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[N-(4-fluorophenyl)-N'-(2-morpholin-4-ylethyl)carbamimidoyl]-3,4-dimethoxybenzamide
CID 50819452
N-(3,4-dimethoxyphenyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109344511
N-(3-chloro-4-methoxyphenyl)-5-(2-morpholin-4-ylethylamino)pyridine-2-carboxamide
CID 109185866
N-(3,4-dimethoxyphenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 1099911
3,4-dimethoxy-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]benzamide
CID 110288135
4-methoxy-N-[4-(2-morpholin-4-ylethoxy)phenyl]-3-phenylmethoxybenzamide
CID 141436173
N'-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ylethyl)propanediamide
CID 108944084
4-butoxy-3-methoxy-N-(2-morpholin-4-ylethyl)benzamide
CID 51159452
N-(4-methoxyphenyl)-4-(2-morpholin-4-ylethylamino)pyridine-2-carboxamide
CID 109207674
4-methoxy-N-(2-morpholin-4-ylethyl)-3-pentoxybenzamide
CID 19363436
N-[3-fluoro-4-(3-morpholin-4-ylpropoxy)phenyl]-4-methoxy-3-phenylmethoxybenzamide
CID 141436174
N-(4-acetamidophenyl)-6-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide
CID 109154071

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[4-(2-morpholin-4-ylethylamino)phenyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[4-(2-morpholin-4-ylethylamino)phenyl]benzamide (CID 112981431) is 3,4-dimethoxy-N-[4-(2-morpholin-4-ylethylamino)phenyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[4-(2-morpholin-4-ylethylamino)phenyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[4-(2-morpholin-4-ylethylamino)phenyl]benzamide is COc1ccc(C(=O)Nc2ccc(NCCN3CCOCC3)cc2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[4-(2-morpholin-4-ylethylamino)phenyl]benzamide?
The InChIKey is DAFMYKPIARLCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4/c1-26-19-8-3-16(15-20(19)27-2)21(25)23-18-6-4-17(5-7-18)22-9-10-24-11-13-28-14-12-24/h3-8,15,22H,9-14H2,1-2H3,(H,23,25).
What are the key properties of 3,4-dimethoxy-N-[4-(2-morpholin-4-ylethylamino)phenyl]benzamide?
3,4-dimethoxy-N-[4-(2-morpholin-4-ylethylamino)phenyl]benzamide has a molecular weight of 385.46 g/mol, XLogP of 2.70, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[4-(2-morpholin-4-ylethylamino)phenyl]benzamide is sourced from PubChem (CID 112981431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).