3,4,5-trimethoxy-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide

C16H24N2O5 — CID 3593901

IUPAC3,4,5-trimethoxy-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
SMILESCOc1cc(C(=O)NCCC(=O)NC(C)C)cc(OC)c1OC
InChIInChI=1S/C16H24N2O5/c1-10(2)18-14(19)6-7-17-16(20)11-8-12(21-3)15(23-5)13(9-11)22-4/h8-10H,6-7H2,1-5H3,(H,17,20)(H,18,19)
InChIKeyAZGGVEGFTYJWDX-UHFFFAOYSA-N
MW324.38 g/mol
LogP1.36
Rot. Bonds8

About 3,4,5-trimethoxy-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide

3,4,5-trimethoxy-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide (PubChem CID 3593901) has the molecular formula C16H24N2O5 and a molecular weight of 324.38 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
PubChem CID3593901
Molecular FormulaC16H24N2O5
Molecular Weight324.38 g/mol
Exact Mass324.17
IUPAC Name3,4,5-trimethoxy-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
SMILESCOc1cc(C(=O)NCCC(=O)NC(C)C)cc(OC)c1OC
InChIInChI=1S/C16H24N2O5/c1-10(2)18-14(19)6-7-17-16(20)11-8-12(21-3)15(23-5)13(9-11)22-4/h8-10H,6-7H2,1-5H3,(H,17,20)(H,18,19)
InChIKeyAZGGVEGFTYJWDX-UHFFFAOYSA-N
XLogP1.36
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide (CID 3593901) is 3,4,5-trimethoxy-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide is COc1cc(C(=O)NCCC(=O)NC(C)C)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide?
The InChIKey is AZGGVEGFTYJWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O5/c1-10(2)18-14(19)6-7-17-16(20)11-8-12(21-3)15(23-5)13(9-11)22-4/h8-10H,6-7H2,1-5H3,(H,17,20)(H,18,19).
What are the key properties of 3,4,5-trimethoxy-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide?
3,4,5-trimethoxy-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide has a molecular weight of 324.38 g/mol, XLogP of 1.36, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide is sourced from PubChem (CID 3593901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).