3-methoxy-N-(3-morpholin-4-ylpropyl)-4-prop-2-enoxy-N-(pyridin-4-ylmethyl)benzamide

C24H31N3O4 — CID 56536758

IUPAC3-methoxy-N-(3-morpholin-4-ylpropyl)-4-prop-2-enoxy-N-(pyridin-4-ylmethyl)benzamide
SMILESC=CCOc1ccc(C(=O)N(CCCN2CCOCC2)Cc2ccncc2)cc1OC
InChIInChI=1S/C24H31N3O4/c1-3-15-31-22-6-5-21(18-23(22)29-2)24(28)27(19-20-7-9-25-10-8-20)12-4-11-26-13-16-30-17-14-26/h3,5-10,18H,1,4,11-17,19H2,2H3
InChIKeyFBNFEYPUTRDZMW-UHFFFAOYSA-N
MW425.53 g/mol
LogP3.02
Rot. Bonds11

About 3-methoxy-N-(3-morpholin-4-ylpropyl)-4-prop-2-enoxy-N-(pyridin-4-ylmethyl)benzamide

3-methoxy-N-(3-morpholin-4-ylpropyl)-4-prop-2-enoxy-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 56536758) has the molecular formula C24H31N3O4 and a molecular weight of 425.53 g/mol. Its IUPAC name is 3-methoxy-N-(3-morpholin-4-ylpropyl)-4-prop-2-enoxy-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name3-methoxy-N-(3-morpholin-4-ylpropyl)-4-prop-2-enoxy-N-(pyridin-4-ylmethyl)benzamide
PubChem CID56536758
Molecular FormulaC24H31N3O4
Molecular Weight425.53 g/mol
Exact Mass425.23
IUPAC Name3-methoxy-N-(3-morpholin-4-ylpropyl)-4-prop-2-enoxy-N-(pyridin-4-ylmethyl)benzamide
SMILESC=CCOc1ccc(C(=O)N(CCCN2CCOCC2)Cc2ccncc2)cc1OC
InChIInChI=1S/C24H31N3O4/c1-3-15-31-22-6-5-21(18-23(22)29-2)24(28)27(19-20-7-9-25-10-8-20)12-4-11-26-13-16-30-17-14-26/h3,5-10,18H,1,4,11-17,19H2,2H3
InChIKeyFBNFEYPUTRDZMW-UHFFFAOYSA-N
XLogP3.02
TPSA64.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)benzamide
CID 42701708
N-(3-aminopropyl)-N-benzyl-3-methoxy-4-prop-2-enoxybenzamide;hydrochloride
CID 120648431
1-acetyl-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)-2,3-dihydroindole-5-carboxamide
CID 56536785
5-bromo-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide
CID 56536352
N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)-4-(tetrazol-1-yl)benzamide
CID 56536701
3-(ethylsulfamoyl)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)benzamide
CID 56536813
3-(2,4-dimethylphenoxy)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)propanamide
CID 56536360
3-(4-ethoxy-3-methylphenyl)-1-(3-morpholin-4-ylpropyl)-1-(pyridin-4-ylmethyl)urea
CID 86974616
N-ethyl-3,4-dimethoxy-N-(pyridin-4-ylmethyl)benzamide
CID 6470450
5-methyl-1-(4-methylphenyl)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)triazole-4-carboxamide
CID 56564376
3,4-dimethoxy-N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 24678698
N-[[4-(dimethylamino)phenyl]methyl]-3-methoxy-N-(oxolan-2-ylmethyl)-4-prop-2-enoxybenzamide
CID 55455486

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(3-morpholin-4-ylpropyl)-4-prop-2-enoxy-N-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of 3-methoxy-N-(3-morpholin-4-ylpropyl)-4-prop-2-enoxy-N-(pyridin-4-ylmethyl)benzamide (CID 56536758) is 3-methoxy-N-(3-morpholin-4-ylpropyl)-4-prop-2-enoxy-N-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for 3-methoxy-N-(3-morpholin-4-ylpropyl)-4-prop-2-enoxy-N-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for 3-methoxy-N-(3-morpholin-4-ylpropyl)-4-prop-2-enoxy-N-(pyridin-4-ylmethyl)benzamide is C=CCOc1ccc(C(=O)N(CCCN2CCOCC2)Cc2ccncc2)cc1OC.
What is the InChIKey of 3-methoxy-N-(3-morpholin-4-ylpropyl)-4-prop-2-enoxy-N-(pyridin-4-ylmethyl)benzamide?
The InChIKey is FBNFEYPUTRDZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4/c1-3-15-31-22-6-5-21(18-23(22)29-2)24(28)27(19-20-7-9-25-10-8-20)12-4-11-26-13-16-30-17-14-26/h3,5-10,18H,1,4,11-17,19H2,2H3.
What are the key properties of 3-methoxy-N-(3-morpholin-4-ylpropyl)-4-prop-2-enoxy-N-(pyridin-4-ylmethyl)benzamide?
3-methoxy-N-(3-morpholin-4-ylpropyl)-4-prop-2-enoxy-N-(pyridin-4-ylmethyl)benzamide has a molecular weight of 425.53 g/mol, XLogP of 3.02, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(3-morpholin-4-ylpropyl)-4-prop-2-enoxy-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 56536758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).