2-[[(3,4-dimethoxybenzoyl)-(2-morpholin-4-ylethyl)amino]methyl]-N-ethylmorpholine-4-carboxamide

C23H36N4O6 — CID 46060500

IUPAC2-[[(3,4-dimethoxybenzoyl)-(2-morpholin-4-ylethyl)amino]methyl]-N-ethylmorpholine-4-carboxamide
SMILESCCNC(=O)N1CCOC(CN(CCN2CCOCC2)C(=O)c2ccc(OC)c(OC)c2)C1
InChIInChI=1S/C23H36N4O6/c1-4-24-23(29)27-11-14-33-19(17-27)16-26(8-7-25-9-12-32-13-10-25)22(28)18-5-6-20(30-2)21(15-18)31-3/h5-6,15,19H,4,7-14,16-17H2,1-3H3,(H,24,29)
InChIKeyOCYDWPVSVCMTCH-UHFFFAOYSA-N
MW464.56 g/mol
LogP0.91
Rot. Bonds9

About 2-[[(3,4-dimethoxybenzoyl)-(2-morpholin-4-ylethyl)amino]methyl]-N-ethylmorpholine-4-carboxamide

2-[[(3,4-dimethoxybenzoyl)-(2-morpholin-4-ylethyl)amino]methyl]-N-ethylmorpholine-4-carboxamide (PubChem CID 46060500) has the molecular formula C23H36N4O6 and a molecular weight of 464.56 g/mol. Its IUPAC name is 2-[[(3,4-dimethoxybenzoyl)-(2-morpholin-4-ylethyl)amino]methyl]-N-ethylmorpholine-4-carboxamide.

Molecular Properties

Compound Name2-[[(3,4-dimethoxybenzoyl)-(2-morpholin-4-ylethyl)amino]methyl]-N-ethylmorpholine-4-carboxamide
PubChem CID46060500
Molecular FormulaC23H36N4O6
Molecular Weight464.56 g/mol
Exact Mass464.26
IUPAC Name2-[[(3,4-dimethoxybenzoyl)-(2-morpholin-4-ylethyl)amino]methyl]-N-ethylmorpholine-4-carboxamide
SMILESCCNC(=O)N1CCOC(CN(CCN2CCOCC2)C(=O)c2ccc(OC)c(OC)c2)C1
InChIInChI=1S/C23H36N4O6/c1-4-24-23(29)27-11-14-33-19(17-27)16-26(8-7-25-9-12-32-13-10-25)22(28)18-5-6-20(30-2)21(15-18)31-3/h5-6,15,19H,4,7-14,16-17H2,1-3H3,(H,24,29)
InChIKeyOCYDWPVSVCMTCH-UHFFFAOYSA-N
XLogP0.91
TPSA92.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.56
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[(4-fluorobenzoyl)-(2-morpholin-4-ylethyl)amino]methyl]-N-(3-methoxyphenyl)morpholine-4-carboxamide
CID 42862635
3-fluoro-N-[[4-(4-fluorobenzoyl)morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 42861962
N-[[4-[(4-fluorophenyl)carbamothioyl]morpholin-2-yl]methyl]-3-methoxy-N-(2-morpholin-4-ylethyl)benzamide
CID 46060405
N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 46059905
N-[[4-(4-chlorobenzoyl)morpholin-2-yl]methyl]-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 42861929
N-(cyclopropylmethyl)-3,4-dimethoxy-N-[[4-(2-methoxyacetyl)morpholin-2-yl]methyl]benzamide
CID 42861731
4-methyl-N-(2-morpholin-4-ylethyl)-N-[[(2R)-4-(2-phenoxyacetyl)morpholin-2-yl]methyl]benzamide
CID 92988261
N-(3-chlorophenyl)-2-[[cyclopropylmethyl-(3,4-dimethoxybenzoyl)amino]methyl]morpholine-4-carboxamide
CID 46060546
N-[[4-(4-chlorobenzoyl)morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 42861940
N-(3-chlorophenyl)-2-[[(3,4-dimethoxybenzoyl)-(2-methylpropyl)amino]methyl]morpholine-4-carboxamide
CID 46059962
N-[[(2R)-4-[2-(4-chlorophenoxy)acetyl]morpholin-2-yl]methyl]-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 92988251
N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 46059920

Frequently Asked Questions

What is the IUPAC name of 2-[[(3,4-dimethoxybenzoyl)-(2-morpholin-4-ylethyl)amino]methyl]-N-ethylmorpholine-4-carboxamide?
The IUPAC name of 2-[[(3,4-dimethoxybenzoyl)-(2-morpholin-4-ylethyl)amino]methyl]-N-ethylmorpholine-4-carboxamide (CID 46060500) is 2-[[(3,4-dimethoxybenzoyl)-(2-morpholin-4-ylethyl)amino]methyl]-N-ethylmorpholine-4-carboxamide.
What is the SMILES notation for 2-[[(3,4-dimethoxybenzoyl)-(2-morpholin-4-ylethyl)amino]methyl]-N-ethylmorpholine-4-carboxamide?
The canonical SMILES for 2-[[(3,4-dimethoxybenzoyl)-(2-morpholin-4-ylethyl)amino]methyl]-N-ethylmorpholine-4-carboxamide is CCNC(=O)N1CCOC(CN(CCN2CCOCC2)C(=O)c2ccc(OC)c(OC)c2)C1.
What is the InChIKey of 2-[[(3,4-dimethoxybenzoyl)-(2-morpholin-4-ylethyl)amino]methyl]-N-ethylmorpholine-4-carboxamide?
The InChIKey is OCYDWPVSVCMTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N4O6/c1-4-24-23(29)27-11-14-33-19(17-27)16-26(8-7-25-9-12-32-13-10-25)22(28)18-5-6-20(30-2)21(15-18)31-3/h5-6,15,19H,4,7-14,16-17H2,1-3H3,(H,24,29).
What are the key properties of 2-[[(3,4-dimethoxybenzoyl)-(2-morpholin-4-ylethyl)amino]methyl]-N-ethylmorpholine-4-carboxamide?
2-[[(3,4-dimethoxybenzoyl)-(2-morpholin-4-ylethyl)amino]methyl]-N-ethylmorpholine-4-carboxamide has a molecular weight of 464.56 g/mol, XLogP of 0.91, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3,4-dimethoxybenzoyl)-(2-morpholin-4-ylethyl)amino]methyl]-N-ethylmorpholine-4-carboxamide is sourced from PubChem (CID 46060500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).