2,4,5-trimethoxy-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide

C16H24N2O5 — CID 8733093

IUPAC2,4,5-trimethoxy-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
SMILESCCCNC(=O)[C@H](C)NC(=O)c1cc(OC)c(OC)cc1OC
InChIInChI=1S/C16H24N2O5/c1-6-7-17-15(19)10(2)18-16(20)11-8-13(22-4)14(23-5)9-12(11)21-3/h8-10H,6-7H2,1-5H3,(H,17,19)(H,18,20)/t10-/m0/s1
InChIKeyXPVVVGGQAGONIG-JTQLQIEISA-N
MW324.38 g/mol
LogP1.36
Rot. Bonds8

About 2,4,5-trimethoxy-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide

2,4,5-trimethoxy-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide (PubChem CID 8733093) has the molecular formula C16H24N2O5 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2,4,5-trimethoxy-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide.

Molecular Properties

Compound Name2,4,5-trimethoxy-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
PubChem CID8733093
Molecular FormulaC16H24N2O5
Molecular Weight324.38 g/mol
Exact Mass324.17
IUPAC Name2,4,5-trimethoxy-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
SMILESCCCNC(=O)[C@H](C)NC(=O)c1cc(OC)c(OC)cc1OC
InChIInChI=1S/C16H24N2O5/c1-6-7-17-15(19)10(2)18-16(20)11-8-13(22-4)14(23-5)9-12(11)21-3/h8-10H,6-7H2,1-5H3,(H,17,19)(H,18,20)/t10-/m0/s1
InChIKeyXPVVVGGQAGONIG-JTQLQIEISA-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

Analyze 2,4,5-trimethoxy-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4,5-trimethoxy-N-propylbenzamide
CID 32736700
4-bromo-3,5-dimethoxy-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 17412288
3-amino-4-methoxy-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 61476385
2,4,5-trimethoxy-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 9163070
4-butoxy-3-methoxy-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 46655429
3-methoxy-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]-4-prop-2-enoxybenzamide
CID 27861011
2,4-difluoro-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 8733040
N-[(2S)-1-aminopropan-2-yl]-2,4,5-trimethoxybenzamide
CID 98541747
N-hexyl-2,4,5-trimethoxybenzamide
CID 32646107
[2-oxo-2-[[(2S)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] 4-amino-5-chloro-2-methoxybenzoate
CID 9343393
2-amino-4-chloro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 61476340
2-[[1-oxo-1-(propylamino)propan-2-yl]carbamoyl]benzoic acid
CID 60941467

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethoxy-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide?
The IUPAC name of 2,4,5-trimethoxy-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide (CID 8733093) is 2,4,5-trimethoxy-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide.
What is the SMILES notation for 2,4,5-trimethoxy-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide?
The canonical SMILES for 2,4,5-trimethoxy-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide is CCCNC(=O)[C@H](C)NC(=O)c1cc(OC)c(OC)cc1OC.
What is the InChIKey of 2,4,5-trimethoxy-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide?
The InChIKey is XPVVVGGQAGONIG-JTQLQIEISA-N. The full InChI is InChI=1S/C16H24N2O5/c1-6-7-17-15(19)10(2)18-16(20)11-8-13(22-4)14(23-5)9-12(11)21-3/h8-10H,6-7H2,1-5H3,(H,17,19)(H,18,20)/t10-/m0/s1.
What are the key properties of 2,4,5-trimethoxy-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide?
2,4,5-trimethoxy-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]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 2,4,5-trimethoxy-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide is sourced from PubChem (CID 8733093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).