3,5-dimethoxy-N-[2-(3-methoxypropylamino)-2-oxoethyl]benzamide

C15H22N2O5 — CID 35513841

IUPAC3,5-dimethoxy-N-[2-(3-methoxypropylamino)-2-oxoethyl]benzamide
SMILESCOCCCNC(=O)CNC(=O)c1cc(OC)cc(OC)c1
InChIInChI=1S/C15H22N2O5/c1-20-6-4-5-16-14(18)10-17-15(19)11-7-12(21-2)9-13(8-11)22-3/h7-9H,4-6,10H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyKNFDEGSMHIJQHY-UHFFFAOYSA-N
MW310.35 g/mol
LogP0.59
Rot. Bonds9

About 3,5-dimethoxy-N-[2-(3-methoxypropylamino)-2-oxoethyl]benzamide

3,5-dimethoxy-N-[2-(3-methoxypropylamino)-2-oxoethyl]benzamide (PubChem CID 35513841) has the molecular formula C15H22N2O5 and a molecular weight of 310.35 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[2-(3-methoxypropylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[2-(3-methoxypropylamino)-2-oxoethyl]benzamide
PubChem CID35513841
Molecular FormulaC15H22N2O5
Molecular Weight310.35 g/mol
Exact Mass310.15
IUPAC Name3,5-dimethoxy-N-[2-(3-methoxypropylamino)-2-oxoethyl]benzamide
SMILESCOCCCNC(=O)CNC(=O)c1cc(OC)cc(OC)c1
InChIInChI=1S/C15H22N2O5/c1-20-6-4-5-16-14(18)10-17-15(19)11-7-12(21-2)9-13(8-11)22-3/h7-9H,4-6,10H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyKNFDEGSMHIJQHY-UHFFFAOYSA-N
XLogP0.59
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3,5-dimethoxy-N-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]benzamide
CID 18162820
N-[4-[(3,5-dimethoxybenzoyl)amino]butyl]-3,5-dimethoxybenzamide
CID 2933573
tert-butyl N-[2-[3-[(3,5-dimethoxybenzoyl)amino]propylamino]-2-oxoethyl]carbamate
CID 108918698
4-tert-butyl-N-[2-(3-methoxypropylamino)-2-oxoethyl]benzamide
CID 35513820
3,5-dimethoxy-N-(2-oxopropyl)benzamide
CID 64996551
3,5-dimethoxy-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]benzamide
CID 110285157
3,4,5-trimethoxy-N-[2-[2-(3-methoxyphenoxy)ethylamino]-2-oxoethyl]benzamide
CID 46423426
N-(3-cyanopropyl)-3,5-dimethoxybenzamide
CID 62668308
N-[2-(butanoylamino)ethyl]-3,5-dimethoxybenzamide
CID 108571368
N-ethyl-3,5-dimethoxybenzamide
CID 4286127
N-(2-aminooxyethyl)-3,5-dimethoxybenzamide
CID 92931838
2-methoxy-N-[2-(3-methoxypropylamino)-2-oxoethyl]benzamide
CID 47101310

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[2-(3-methoxypropylamino)-2-oxoethyl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[2-(3-methoxypropylamino)-2-oxoethyl]benzamide (CID 35513841) is 3,5-dimethoxy-N-[2-(3-methoxypropylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[2-(3-methoxypropylamino)-2-oxoethyl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[2-(3-methoxypropylamino)-2-oxoethyl]benzamide is COCCCNC(=O)CNC(=O)c1cc(OC)cc(OC)c1.
What is the InChIKey of 3,5-dimethoxy-N-[2-(3-methoxypropylamino)-2-oxoethyl]benzamide?
The InChIKey is KNFDEGSMHIJQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5/c1-20-6-4-5-16-14(18)10-17-15(19)11-7-12(21-2)9-13(8-11)22-3/h7-9H,4-6,10H2,1-3H3,(H,16,18)(H,17,19).
What are the key properties of 3,5-dimethoxy-N-[2-(3-methoxypropylamino)-2-oxoethyl]benzamide?
3,5-dimethoxy-N-[2-(3-methoxypropylamino)-2-oxoethyl]benzamide has a molecular weight of 310.35 g/mol, XLogP of 0.59, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[2-(3-methoxypropylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 35513841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).