2-[(4-methoxy-3-methylphenyl)methyl-methylamino]-N-(propylcarbamoyl)acetamide

C16H25N3O3 — CID 60589402

IUPAC2-[(4-methoxy-3-methylphenyl)methyl-methylamino]-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)CN(C)Cc1ccc(OC)c(C)c1
InChIInChI=1S/C16H25N3O3/c1-5-8-17-16(21)18-15(20)11-19(3)10-13-6-7-14(22-4)12(2)9-13/h6-7,9H,5,8,10-11H2,1-4H3,(H2,17,18,20,21)
InChIKeyYIZUZNLVLOYVED-UHFFFAOYSA-N
MW307.39 g/mol
LogP1.67
Rot. Bonds7

About 2-[(4-methoxy-3-methylphenyl)methyl-methylamino]-N-(propylcarbamoyl)acetamide

2-[(4-methoxy-3-methylphenyl)methyl-methylamino]-N-(propylcarbamoyl)acetamide (PubChem CID 60589402) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is 2-[(4-methoxy-3-methylphenyl)methyl-methylamino]-N-(propylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[(4-methoxy-3-methylphenyl)methyl-methylamino]-N-(propylcarbamoyl)acetamide
PubChem CID60589402
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name2-[(4-methoxy-3-methylphenyl)methyl-methylamino]-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)CN(C)Cc1ccc(OC)c(C)c1
InChIInChI=1S/C16H25N3O3/c1-5-8-17-16(21)18-15(20)11-19(3)10-13-6-7-14(22-4)12(2)9-13/h6-7,9H,5,8,10-11H2,1-4H3,(H2,17,18,20,21)
InChIKeyYIZUZNLVLOYVED-UHFFFAOYSA-N
XLogP1.67
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-fluorophenyl)methyl-methylamino]-N-(propylcarbamoyl)acetamide
CID 9251739
2-[(3-bromo-4-methoxyphenyl)methyl-methylamino]-N-propylacetamide
CID 60670069
2-[(4-methoxy-3-methylphenyl)methyl-methylamino]-N-prop-2-enylacetamide
CID 60589490
2-[(3-cyano-4-methoxyphenyl)methyl-methylamino]-N-propylacetamide
CID 65344306
N-[[(2S)-butan-2-yl]carbamoyl]-2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetamide
CID 9058250
N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetamide
CID 9432639
2-[(4-methoxy-3-methylphenyl)methyl-methylamino]ethanol
CID 115216225
2-[[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetyl]amino]-N-propylacetamide
CID 8925345
2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-[2-(2-methylphenyl)ethyl]acetamide
CID 8694826
2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(ethylcarbamoyl)acetamide
CID 8583895
2-[[2-[(2-methoxy-5-methylphenyl)methyl-methylamino]acetyl]amino]-N-propylacetamide
CID 8805837
N-(methoxymethyl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine
CID 115258645

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-3-methylphenyl)methyl-methylamino]-N-(propylcarbamoyl)acetamide?
The IUPAC name of 2-[(4-methoxy-3-methylphenyl)methyl-methylamino]-N-(propylcarbamoyl)acetamide (CID 60589402) is 2-[(4-methoxy-3-methylphenyl)methyl-methylamino]-N-(propylcarbamoyl)acetamide.
What is the SMILES notation for 2-[(4-methoxy-3-methylphenyl)methyl-methylamino]-N-(propylcarbamoyl)acetamide?
The canonical SMILES for 2-[(4-methoxy-3-methylphenyl)methyl-methylamino]-N-(propylcarbamoyl)acetamide is CCCNC(=O)NC(=O)CN(C)Cc1ccc(OC)c(C)c1.
What is the InChIKey of 2-[(4-methoxy-3-methylphenyl)methyl-methylamino]-N-(propylcarbamoyl)acetamide?
The InChIKey is YIZUZNLVLOYVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-5-8-17-16(21)18-15(20)11-19(3)10-13-6-7-14(22-4)12(2)9-13/h6-7,9H,5,8,10-11H2,1-4H3,(H2,17,18,20,21).
What are the key properties of 2-[(4-methoxy-3-methylphenyl)methyl-methylamino]-N-(propylcarbamoyl)acetamide?
2-[(4-methoxy-3-methylphenyl)methyl-methylamino]-N-(propylcarbamoyl)acetamide has a molecular weight of 307.39 g/mol, XLogP of 1.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-3-methylphenyl)methyl-methylamino]-N-(propylcarbamoyl)acetamide is sourced from PubChem (CID 60589402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).