4-methoxy-N-[3,4,5-trimethoxy-2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide

C25H32N2O7 — CID 147839137

IUPAC4-methoxy-N-[3,4,5-trimethoxy-2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2cc(OC)c(OC)c(OC)c2C(=O)CCCN2CCOCC2)cc1
InChIInChI=1S/C25H32N2O7/c1-30-18-9-7-17(8-10-18)25(29)26-19-16-21(31-2)23(32-3)24(33-4)22(19)20(28)6-5-11-27-12-14-34-15-13-27/h7-10,16H,5-6,11-15H2,1-4H3,(H,26,29)
InChIKeyHSPVHUXDJFEEDL-UHFFFAOYSA-N
MW472.54 g/mol
LogP3.27
Rot. Bonds11

About 4-methoxy-N-[3,4,5-trimethoxy-2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide

4-methoxy-N-[3,4,5-trimethoxy-2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide (PubChem CID 147839137) has the molecular formula C25H32N2O7 and a molecular weight of 472.54 g/mol. Its IUPAC name is 4-methoxy-N-[3,4,5-trimethoxy-2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[3,4,5-trimethoxy-2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide
PubChem CID147839137
Molecular FormulaC25H32N2O7
Molecular Weight472.54 g/mol
Exact Mass472.22
IUPAC Name4-methoxy-N-[3,4,5-trimethoxy-2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2cc(OC)c(OC)c(OC)c2C(=O)CCCN2CCOCC2)cc1
InChIInChI=1S/C25H32N2O7/c1-30-18-9-7-17(8-10-18)25(29)26-19-16-21(31-2)23(32-3)24(33-4)22(19)20(28)6-5-11-27-12-14-34-15-13-27/h7-10,16H,5-6,11-15H2,1-4H3,(H,26,29)
InChIKeyHSPVHUXDJFEEDL-UHFFFAOYSA-N
XLogP3.27
TPSA95.56 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.54
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4,5-dimethoxy-2-(5-morpholin-4-ylpentanoyl)phenyl]-4-methoxybenzamide
CID 146931849
N-(2,5-dimethoxyphenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 1106324
4-methoxy-N-(2-morpholin-4-ylethylcarbamoyl)benzamide
CID 23875507
N-[5-methoxy-2-(3-morpholin-4-ylpropylcarbamoyl)phenyl]naphthalene-2-carboxamide
CID 118913457
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
2,5-dimethoxy-N-(2-morpholin-4-ylethyl)benzamide
CID 51072890
4-chloro-N-[2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide
CID 146717960
N-(2,5-dimethoxyphenyl)-3-(morpholin-4-ylmethyl)benzamide
CID 28572616
4-butoxy-3-methoxy-N-(2-morpholin-4-ylethyl)benzamide
CID 51159452
2,6-difluoro-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;3,5-difluoro-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;2-fluoro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]benzamide;4-methoxy-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;N-[2-(3-morpholin-4-ylpropylcarbamoyl)phenyl]naphthalene-1-carboxamide
CID 157304277
1-(2-morpholin-4-ylethyl)-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea
CID 113217074

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[3,4,5-trimethoxy-2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide?
The IUPAC name of 4-methoxy-N-[3,4,5-trimethoxy-2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide (CID 147839137) is 4-methoxy-N-[3,4,5-trimethoxy-2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[3,4,5-trimethoxy-2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide?
The canonical SMILES for 4-methoxy-N-[3,4,5-trimethoxy-2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide is COc1ccc(C(=O)Nc2cc(OC)c(OC)c(OC)c2C(=O)CCCN2CCOCC2)cc1.
What is the InChIKey of 4-methoxy-N-[3,4,5-trimethoxy-2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide?
The InChIKey is HSPVHUXDJFEEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O7/c1-30-18-9-7-17(8-10-18)25(29)26-19-16-21(31-2)23(32-3)24(33-4)22(19)20(28)6-5-11-27-12-14-34-15-13-27/h7-10,16H,5-6,11-15H2,1-4H3,(H,26,29).
What are the key properties of 4-methoxy-N-[3,4,5-trimethoxy-2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide?
4-methoxy-N-[3,4,5-trimethoxy-2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide has a molecular weight of 472.54 g/mol, XLogP of 3.27, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[3,4,5-trimethoxy-2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide is sourced from PubChem (CID 147839137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).