N-[4,5-dimethoxy-2-(5-morpholin-4-ylpentanoyl)phenyl]-4-methoxybenzamide

C25H32N2O6 — CID 146931849

IUPACN-[4,5-dimethoxy-2-(5-morpholin-4-ylpentanoyl)phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(OC)c(OC)cc2C(=O)CCCCN2CCOCC2)cc1
InChIInChI=1S/C25H32N2O6/c1-30-19-9-7-18(8-10-19)25(29)26-21-17-24(32-3)23(31-2)16-20(21)22(28)6-4-5-11-27-12-14-33-15-13-27/h7-10,16-17H,4-6,11-15H2,1-3H3,(H,26,29)
InChIKeyAFEHUOMSLVTYKE-UHFFFAOYSA-N
MW456.54 g/mol
LogP3.65
Rot. Bonds11

About N-[4,5-dimethoxy-2-(5-morpholin-4-ylpentanoyl)phenyl]-4-methoxybenzamide

N-[4,5-dimethoxy-2-(5-morpholin-4-ylpentanoyl)phenyl]-4-methoxybenzamide (PubChem CID 146931849) has the molecular formula C25H32N2O6 and a molecular weight of 456.54 g/mol. Its IUPAC name is N-[4,5-dimethoxy-2-(5-morpholin-4-ylpentanoyl)phenyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[4,5-dimethoxy-2-(5-morpholin-4-ylpentanoyl)phenyl]-4-methoxybenzamide
PubChem CID146931849
Molecular FormulaC25H32N2O6
Molecular Weight456.54 g/mol
Exact Mass456.23
IUPAC NameN-[4,5-dimethoxy-2-(5-morpholin-4-ylpentanoyl)phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(OC)c(OC)cc2C(=O)CCCCN2CCOCC2)cc1
InChIInChI=1S/C25H32N2O6/c1-30-19-9-7-18(8-10-19)25(29)26-21-17-24(32-3)23(31-2)16-20(21)22(28)6-4-5-11-27-12-14-33-15-13-27/h7-10,16-17H,4-6,11-15H2,1-3H3,(H,26,29)
InChIKeyAFEHUOMSLVTYKE-UHFFFAOYSA-N
XLogP3.65
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.54
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N-[3,4,5-trimethoxy-2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide
CID 147839137
N-(2,5-dimethoxyphenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 1106324
N-[5-methoxy-2-(3-morpholin-4-ylpropylcarbamoyl)phenyl]naphthalene-2-carboxamide
CID 118913457
4-chloro-N-[2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide
CID 146717960
N-[4,5-dimethoxy-2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]pyridine-3-carboxamide
CID 153155678
2-[(4-methoxybenzoyl)amino]-N-(3-morpholin-4-ylpropyl)-1,3-thiazole-4-carboxamide
CID 84555624
N-(2,4-dimethoxyphenyl)-3-morpholin-4-ylpropanamide
CID 772656
4-methoxy-N-[2-[[N'-(3-morpholin-4-ylpropyl)carbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111055700
N-(2,5-dimethoxyphenyl)-3-(morpholin-4-ylmethyl)benzamide
CID 28572616
4-methoxy-N-(2-morpholin-4-ylethylcarbamoyl)benzamide
CID 23875507
2,5-dimethoxy-N-(2-morpholin-4-ylethyl)benzamide
CID 51072890
2-amino-4-methoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 80503310

Frequently Asked Questions

What is the IUPAC name of N-[4,5-dimethoxy-2-(5-morpholin-4-ylpentanoyl)phenyl]-4-methoxybenzamide?
The IUPAC name of N-[4,5-dimethoxy-2-(5-morpholin-4-ylpentanoyl)phenyl]-4-methoxybenzamide (CID 146931849) is N-[4,5-dimethoxy-2-(5-morpholin-4-ylpentanoyl)phenyl]-4-methoxybenzamide.
What is the SMILES notation for N-[4,5-dimethoxy-2-(5-morpholin-4-ylpentanoyl)phenyl]-4-methoxybenzamide?
The canonical SMILES for N-[4,5-dimethoxy-2-(5-morpholin-4-ylpentanoyl)phenyl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2cc(OC)c(OC)cc2C(=O)CCCCN2CCOCC2)cc1.
What is the InChIKey of N-[4,5-dimethoxy-2-(5-morpholin-4-ylpentanoyl)phenyl]-4-methoxybenzamide?
The InChIKey is AFEHUOMSLVTYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O6/c1-30-19-9-7-18(8-10-19)25(29)26-21-17-24(32-3)23(31-2)16-20(21)22(28)6-4-5-11-27-12-14-33-15-13-27/h7-10,16-17H,4-6,11-15H2,1-3H3,(H,26,29).
What are the key properties of N-[4,5-dimethoxy-2-(5-morpholin-4-ylpentanoyl)phenyl]-4-methoxybenzamide?
N-[4,5-dimethoxy-2-(5-morpholin-4-ylpentanoyl)phenyl]-4-methoxybenzamide has a molecular weight of 456.54 g/mol, XLogP of 3.65, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,5-dimethoxy-2-(5-morpholin-4-ylpentanoyl)phenyl]-4-methoxybenzamide is sourced from PubChem (CID 146931849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).