3,5-dimethoxy-N-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]benzamide

C16H23N3O5 — CID 18162820

IUPAC3,5-dimethoxy-N-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]benzamide
SMILESCCCNC(=O)CNC(=O)CNC(=O)c1cc(OC)cc(OC)c1
InChIInChI=1S/C16H23N3O5/c1-4-5-17-14(20)9-18-15(21)10-19-16(22)11-6-12(23-2)8-13(7-11)24-3/h6-8H,4-5,9-10H2,1-3H3,(H,17,20)(H,18,21)(H,19,22)
InChIKeyVTLCCMSUSVNWBM-UHFFFAOYSA-N
MW337.38 g/mol
LogP0.08
Rot. Bonds9

About 3,5-dimethoxy-N-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]benzamide

3,5-dimethoxy-N-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]benzamide (PubChem CID 18162820) has the molecular formula C16H23N3O5 and a molecular weight of 337.38 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]benzamide
PubChem CID18162820
Molecular FormulaC16H23N3O5
Molecular Weight337.38 g/mol
Exact Mass337.16
IUPAC Name3,5-dimethoxy-N-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]benzamide
SMILESCCCNC(=O)CNC(=O)CNC(=O)c1cc(OC)cc(OC)c1
InChIInChI=1S/C16H23N3O5/c1-4-5-17-14(20)9-18-15(21)10-19-16(22)11-6-12(23-2)8-13(7-11)24-3/h6-8H,4-5,9-10H2,1-3H3,(H,17,20)(H,18,21)(H,19,22)
InChIKeyVTLCCMSUSVNWBM-UHFFFAOYSA-N
XLogP0.08
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethoxy-N-[2-(3-methoxypropylamino)-2-oxoethyl]benzamide
CID 35513841
N-[2-(butanoylamino)ethyl]-3,5-dimethoxybenzamide
CID 108571368
[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] 2-[(3-methoxybenzoyl)amino]acetate
CID 8573952
3,5-dimethyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 27256307
3,5-dimethoxy-N-(2-oxopropyl)benzamide
CID 64996551
N-ethyl-3,5-dimethoxybenzamide
CID 4286127
[2-oxo-2-(propylamino)ethyl] 3,5-dimethoxybenzoate
CID 2516393
tert-butyl N-[2-[3-[(3,5-dimethoxybenzoyl)amino]propylamino]-2-oxoethyl]carbamate
CID 108918698
N-[4-[(3,5-dimethoxybenzoyl)amino]butyl]-3,5-dimethoxybenzamide
CID 2933573
3,5-dimethoxy-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]benzamide
CID 110285157
3-fluoro-4-methoxy-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 9163422
2,4,5-trimethoxy-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 9163070

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]benzamide (CID 18162820) is 3,5-dimethoxy-N-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]benzamide is CCCNC(=O)CNC(=O)CNC(=O)c1cc(OC)cc(OC)c1.
What is the InChIKey of 3,5-dimethoxy-N-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]benzamide?
The InChIKey is VTLCCMSUSVNWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O5/c1-4-5-17-14(20)9-18-15(21)10-19-16(22)11-6-12(23-2)8-13(7-11)24-3/h6-8H,4-5,9-10H2,1-3H3,(H,17,20)(H,18,21)(H,19,22).
What are the key properties of 3,5-dimethoxy-N-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]benzamide?
3,5-dimethoxy-N-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]benzamide has a molecular weight of 337.38 g/mol, XLogP of 0.08, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]benzamide is sourced from PubChem (CID 18162820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).