4-butoxy-3,5-dimethoxy-N-[(4-morpholin-4-yloxan-4-yl)methyl]benzamide

C23H36N2O6 — CID 71617633

IUPAC4-butoxy-3,5-dimethoxy-N-[(4-morpholin-4-yloxan-4-yl)methyl]benzamide
SMILESCCCCOc1c(OC)cc(C(=O)NCC2(N3CCOCC3)CCOCC2)cc1OC
InChIInChI=1S/C23H36N2O6/c1-4-5-10-31-21-19(27-2)15-18(16-20(21)28-3)22(26)24-17-23(6-11-29-12-7-23)25-8-13-30-14-9-25/h15-16H,4-14,17H2,1-3H3,(H,24,26)
InChIKeyOFHANQJUYVRMSA-UHFFFAOYSA-N
MW436.55 g/mol
LogP2.49
Rot. Bonds10

About 4-butoxy-3,5-dimethoxy-N-[(4-morpholin-4-yloxan-4-yl)methyl]benzamide

4-butoxy-3,5-dimethoxy-N-[(4-morpholin-4-yloxan-4-yl)methyl]benzamide (PubChem CID 71617633) has the molecular formula C23H36N2O6 and a molecular weight of 436.55 g/mol. Its IUPAC name is 4-butoxy-3,5-dimethoxy-N-[(4-morpholin-4-yloxan-4-yl)methyl]benzamide.

Molecular Properties

Compound Name4-butoxy-3,5-dimethoxy-N-[(4-morpholin-4-yloxan-4-yl)methyl]benzamide
PubChem CID71617633
Molecular FormulaC23H36N2O6
Molecular Weight436.55 g/mol
Exact Mass436.26
IUPAC Name4-butoxy-3,5-dimethoxy-N-[(4-morpholin-4-yloxan-4-yl)methyl]benzamide
SMILESCCCCOc1c(OC)cc(C(=O)NCC2(N3CCOCC3)CCOCC2)cc1OC
InChIInChI=1S/C23H36N2O6/c1-4-5-10-31-21-19(27-2)15-18(16-20(21)28-3)22(26)24-17-23(6-11-29-12-7-23)25-8-13-30-14-9-25/h15-16H,4-14,17H2,1-3H3,(H,24,26)
InChIKeyOFHANQJUYVRMSA-UHFFFAOYSA-N
XLogP2.49
TPSA78.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.55
LogP ≤ 52.49
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-butoxy-3,5-dimethoxy-N-[[4-(2-phenylethyl)oxan-4-yl]methyl]benzamide;3,5-dimethoxy-N-[(4-morpholin-4-yloxan-4-yl)methyl]-4-phenylmethoxybenzamide;3,5-dimethoxy-N-[[4-(2-phenylethyl)oxan-4-yl]methyl]-4-phenylmethoxybenzamide;3,5-dimethyl-N-[(4-morpholin-4-yloxan-4-yl)methyl]-4-phenylmethoxybenzamide
CID 161306520
4-butoxy-3,5-dimethoxybenzoic acid;4-butoxy-3,5-dimethoxy-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]benzamide;[1-(4-methylpiperazin-1-yl)cyclohexyl]methanamine
CID 160975646
4-butoxy-3-chloro-5-ethoxy-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]benzamide
CID 55658417
3,4-dimethoxy-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]benzamide
CID 112505028
3-methoxy-N-[(4-morpholin-4-yloxan-4-yl)methyl]benzamide
CID 125420203
3-fluoro-4-methoxy-N-[(1-morpholin-4-ylcyclobutyl)methyl]benzamide
CID 139028774
3,5-dimethyl-N-[(4-morpholin-4-yloxan-4-yl)methyl]-4-phenylmethoxybenzamide
CID 71616252
3,4-diethoxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 35762390
4-[[(3-chloro-4-ethoxy-5-methoxybenzoyl)amino]methyl]oxane-4-carboxylic acid
CID 120542934
4-[[(3,4,5-triethoxybenzoyl)amino]methyl]oxane-4-carboxylic acid
CID 120541564
3,4-dimethyl-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]benzamide
CID 112505026
4-butoxy-3-methoxy-N-(2-morpholin-4-ylethyl)benzamide
CID 51159452

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-3,5-dimethoxy-N-[(4-morpholin-4-yloxan-4-yl)methyl]benzamide?
The IUPAC name of 4-butoxy-3,5-dimethoxy-N-[(4-morpholin-4-yloxan-4-yl)methyl]benzamide (CID 71617633) is 4-butoxy-3,5-dimethoxy-N-[(4-morpholin-4-yloxan-4-yl)methyl]benzamide.
What is the SMILES notation for 4-butoxy-3,5-dimethoxy-N-[(4-morpholin-4-yloxan-4-yl)methyl]benzamide?
The canonical SMILES for 4-butoxy-3,5-dimethoxy-N-[(4-morpholin-4-yloxan-4-yl)methyl]benzamide is CCCCOc1c(OC)cc(C(=O)NCC2(N3CCOCC3)CCOCC2)cc1OC.
What is the InChIKey of 4-butoxy-3,5-dimethoxy-N-[(4-morpholin-4-yloxan-4-yl)methyl]benzamide?
The InChIKey is OFHANQJUYVRMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N2O6/c1-4-5-10-31-21-19(27-2)15-18(16-20(21)28-3)22(26)24-17-23(6-11-29-12-7-23)25-8-13-30-14-9-25/h15-16H,4-14,17H2,1-3H3,(H,24,26).
What are the key properties of 4-butoxy-3,5-dimethoxy-N-[(4-morpholin-4-yloxan-4-yl)methyl]benzamide?
4-butoxy-3,5-dimethoxy-N-[(4-morpholin-4-yloxan-4-yl)methyl]benzamide has a molecular weight of 436.55 g/mol, XLogP of 2.49, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-3,5-dimethoxy-N-[(4-morpholin-4-yloxan-4-yl)methyl]benzamide is sourced from PubChem (CID 71617633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).