2-[[2-[(2-methoxy-5-methylphenyl)methyl-methylamino]acetyl]amino]-N-propylacetamide

C17H27N3O3 — CID 8805837

IUPAC2-[[2-[(2-methoxy-5-methylphenyl)methyl-methylamino]acetyl]amino]-N-propylacetamide
SMILESCCCNC(=O)CNC(=O)CN(C)Cc1cc(C)ccc1OC
InChIInChI=1S/C17H27N3O3/c1-5-8-18-16(21)10-19-17(22)12-20(3)11-14-9-13(2)6-7-15(14)23-4/h6-7,9H,5,8,10-12H2,1-4H3,(H,18,21)(H,19,22)
InChIKeyXVUJJMXXFSGQCQ-UHFFFAOYSA-N
MW321.42 g/mol
LogP1.08
Rot. Bonds9

About 2-[[2-[(2-methoxy-5-methylphenyl)methyl-methylamino]acetyl]amino]-N-propylacetamide

2-[[2-[(2-methoxy-5-methylphenyl)methyl-methylamino]acetyl]amino]-N-propylacetamide (PubChem CID 8805837) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is 2-[[2-[(2-methoxy-5-methylphenyl)methyl-methylamino]acetyl]amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[[2-[(2-methoxy-5-methylphenyl)methyl-methylamino]acetyl]amino]-N-propylacetamide
PubChem CID8805837
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name2-[[2-[(2-methoxy-5-methylphenyl)methyl-methylamino]acetyl]amino]-N-propylacetamide
SMILESCCCNC(=O)CNC(=O)CN(C)Cc1cc(C)ccc1OC
InChIInChI=1S/C17H27N3O3/c1-5-8-18-16(21)10-19-17(22)12-20(3)11-14-9-13(2)6-7-15(14)23-4/h6-7,9H,5,8,10-12H2,1-4H3,(H,18,21)(H,19,22)
InChIKeyXVUJJMXXFSGQCQ-UHFFFAOYSA-N
XLogP1.08
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[2-[(2-methoxy-5-methylphenyl)methyl-methylamino]acetyl]amino]benzoate
CID 8805335
N-[2-(1H-indol-3-yl)ethyl]-2-[(2-methoxy-5-methylphenyl)methyl-methylamino]acetamide
CID 8805917
2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-propylacetamide
CID 3271656
2-[(3-bromo-4-methoxyphenyl)methyl-methylamino]-N-propylacetamide
CID 60670069
2-[[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetyl]amino]-N-propylacetamide
CID 8925345
1-[(2-methoxy-5-methylphenyl)methyl]-1-methyl-3-propylthiourea
CID 9097975
N'-[2-[(2-methoxy-5-methylphenyl)methyl-methylamino]acetyl]benzohydrazide
CID 8805511
2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-N-(phenylcarbamoyl)acetamide
CID 26647351
2-[(3-cyano-4-methoxyphenyl)methyl-methylamino]-N-propylacetamide
CID 65344306
2-[methyl-[(2-methylphenyl)methyl]amino]-N-propylacetamide
CID 47006716
2-[[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 60680062
2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 9039794

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2-methoxy-5-methylphenyl)methyl-methylamino]acetyl]amino]-N-propylacetamide?
The IUPAC name of 2-[[2-[(2-methoxy-5-methylphenyl)methyl-methylamino]acetyl]amino]-N-propylacetamide (CID 8805837) is 2-[[2-[(2-methoxy-5-methylphenyl)methyl-methylamino]acetyl]amino]-N-propylacetamide.
What is the SMILES notation for 2-[[2-[(2-methoxy-5-methylphenyl)methyl-methylamino]acetyl]amino]-N-propylacetamide?
The canonical SMILES for 2-[[2-[(2-methoxy-5-methylphenyl)methyl-methylamino]acetyl]amino]-N-propylacetamide is CCCNC(=O)CNC(=O)CN(C)Cc1cc(C)ccc1OC.
What is the InChIKey of 2-[[2-[(2-methoxy-5-methylphenyl)methyl-methylamino]acetyl]amino]-N-propylacetamide?
The InChIKey is XVUJJMXXFSGQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-5-8-18-16(21)10-19-17(22)12-20(3)11-14-9-13(2)6-7-15(14)23-4/h6-7,9H,5,8,10-12H2,1-4H3,(H,18,21)(H,19,22).
What are the key properties of 2-[[2-[(2-methoxy-5-methylphenyl)methyl-methylamino]acetyl]amino]-N-propylacetamide?
2-[[2-[(2-methoxy-5-methylphenyl)methyl-methylamino]acetyl]amino]-N-propylacetamide has a molecular weight of 321.42 g/mol, XLogP of 1.08, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2-methoxy-5-methylphenyl)methyl-methylamino]acetyl]amino]-N-propylacetamide is sourced from PubChem (CID 8805837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).