3-methoxy-N-[2-(methylamino)propyl]-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide

C17H27N3O4 — CID 120832066

IUPAC3-methoxy-N-[2-(methylamino)propyl]-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
SMILESCNC(C)CNC(=O)c1ccc(OCC(=O)NC(C)C)c(OC)c1
InChIInChI=1S/C17H27N3O4/c1-11(2)20-16(21)10-24-14-7-6-13(8-15(14)23-5)17(22)19-9-12(3)18-4/h6-8,11-12,18H,9-10H2,1-5H3,(H,19,22)(H,20,21)
InChIKeyGOIKMFDOZUBCNE-UHFFFAOYSA-N
MW337.42 g/mol
LogP0.94
Rot. Bonds9

About 3-methoxy-N-[2-(methylamino)propyl]-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide

3-methoxy-N-[2-(methylamino)propyl]-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide (PubChem CID 120832066) has the molecular formula C17H27N3O4 and a molecular weight of 337.42 g/mol. Its IUPAC name is 3-methoxy-N-[2-(methylamino)propyl]-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[2-(methylamino)propyl]-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
PubChem CID120832066
Molecular FormulaC17H27N3O4
Molecular Weight337.42 g/mol
Exact Mass337.20
IUPAC Name3-methoxy-N-[2-(methylamino)propyl]-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
SMILESCNC(C)CNC(=O)c1ccc(OCC(=O)NC(C)C)c(OC)c1
InChIInChI=1S/C17H27N3O4/c1-11(2)20-16(21)10-24-14-7-6-13(8-15(14)23-5)17(22)19-9-12(3)18-4/h6-8,11-12,18H,9-10H2,1-5H3,(H,19,22)(H,20,21)
InChIKeyGOIKMFDOZUBCNE-UHFFFAOYSA-N
XLogP0.94
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-2-(ethylamino)propyl]-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 120654487
ethene;3-methoxy-N-methyl-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 167446651
2-[4-(hydrazinecarbonyl)-2-methoxyphenoxy]-N-propan-2-ylacetamide
CID 167446840
3-methoxy-N-[2-(methylamino)propyl]-4-(2-methylpropoxy)benzamide;hydrochloride
CID 120829798
N-[(2S)-1-aminopropan-2-yl]-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 120507137
2-(4-carbamothioyl-2-methoxyphenoxy)-N-propan-2-ylacetamide
CID 24692965
3-methoxy-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 55770964
N-(4-bromophenyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 46486629
N-[(2R)-2-(ethylamino)propyl]-3,4-dimethoxybenzamide;hydrochloride
CID 120655264
3,4,5-trimethoxy-N-[2-(methylamino)propyl]benzamide
CID 103512763
3-methoxy-N-[1-(4-methoxyphenyl)-2-methylpropyl]-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 55772596
N-(2-amino-2-oxo-1-phenylethyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 55776273

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-(methylamino)propyl]-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide?
The IUPAC name of 3-methoxy-N-[2-(methylamino)propyl]-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide (CID 120832066) is 3-methoxy-N-[2-(methylamino)propyl]-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide.
What is the SMILES notation for 3-methoxy-N-[2-(methylamino)propyl]-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide?
The canonical SMILES for 3-methoxy-N-[2-(methylamino)propyl]-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide is CNC(C)CNC(=O)c1ccc(OCC(=O)NC(C)C)c(OC)c1.
What is the InChIKey of 3-methoxy-N-[2-(methylamino)propyl]-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide?
The InChIKey is GOIKMFDOZUBCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4/c1-11(2)20-16(21)10-24-14-7-6-13(8-15(14)23-5)17(22)19-9-12(3)18-4/h6-8,11-12,18H,9-10H2,1-5H3,(H,19,22)(H,20,21).
What are the key properties of 3-methoxy-N-[2-(methylamino)propyl]-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide?
3-methoxy-N-[2-(methylamino)propyl]-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide has a molecular weight of 337.42 g/mol, XLogP of 0.94, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-(methylamino)propyl]-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide is sourced from PubChem (CID 120832066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).