2-[(3-methoxyphenyl)methyl-methylamino]-N-(2-methylpropylcarbamoyl)acetamide

C16H25N3O3 — CID 8780580

IUPAC2-[(3-methoxyphenyl)methyl-methylamino]-N-(2-methylpropylcarbamoyl)acetamide
SMILESCOc1cccc(CN(C)CC(=O)NC(=O)NCC(C)C)c1
InChIInChI=1S/C16H25N3O3/c1-12(2)9-17-16(21)18-15(20)11-19(3)10-13-6-5-7-14(8-13)22-4/h5-8,12H,9-11H2,1-4H3,(H2,17,18,20,21)
InChIKeyMOZWIXMVLQIJTF-UHFFFAOYSA-N
MW307.39 g/mol
LogP1.61
Rot. Bonds7

About 2-[(3-methoxyphenyl)methyl-methylamino]-N-(2-methylpropylcarbamoyl)acetamide

2-[(3-methoxyphenyl)methyl-methylamino]-N-(2-methylpropylcarbamoyl)acetamide (PubChem CID 8780580) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is 2-[(3-methoxyphenyl)methyl-methylamino]-N-(2-methylpropylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[(3-methoxyphenyl)methyl-methylamino]-N-(2-methylpropylcarbamoyl)acetamide
PubChem CID8780580
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name2-[(3-methoxyphenyl)methyl-methylamino]-N-(2-methylpropylcarbamoyl)acetamide
SMILESCOc1cccc(CN(C)CC(=O)NC(=O)NCC(C)C)c1
InChIInChI=1S/C16H25N3O3/c1-12(2)9-17-16(21)18-15(20)11-19(3)10-13-6-5-7-14(8-13)22-4/h5-8,12H,9-11H2,1-4H3,(H2,17,18,20,21)
InChIKeyMOZWIXMVLQIJTF-UHFFFAOYSA-N
XLogP1.61
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 ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(3-methoxyphenyl)methyl-methylamino]-N-(2-methylpropylcarbamoyl)acetamide 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-ethoxyphenyl)methyl-methylamino]-N-(2-methylpropylcarbamoyl)acetamide
CID 27204242
N-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 2656678
2-[(4-fluorophenyl)methyl-methylamino]-N-(2-methylpropylcarbamoyl)acetamide
CID 9251733
2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(2-methylpropylcarbamoyl)acetamide
CID 9028292
2-[(3-fluorophenyl)methyl-methylamino]-N-(2-methylpropyl)acetamide
CID 86976781
N-(benzylcarbamoyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 27197304
2-[(3-bromophenyl)methyl-methylamino]-N-(2-methylpropyl)acetamide
CID 112685371
N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 26509899
N-methyl-4-[[methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]methyl]benzamide
CID 9123723
N-(4-ethoxyphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 8794745
2-[(3-methoxyphenyl)methyl-methylamino]-N-(2-methylphenyl)acetamide
CID 8794631
N-(3,5-dichlorophenyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 2698222

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenyl)methyl-methylamino]-N-(2-methylpropylcarbamoyl)acetamide?
The IUPAC name of 2-[(3-methoxyphenyl)methyl-methylamino]-N-(2-methylpropylcarbamoyl)acetamide (CID 8780580) is 2-[(3-methoxyphenyl)methyl-methylamino]-N-(2-methylpropylcarbamoyl)acetamide.
What is the SMILES notation for 2-[(3-methoxyphenyl)methyl-methylamino]-N-(2-methylpropylcarbamoyl)acetamide?
The canonical SMILES for 2-[(3-methoxyphenyl)methyl-methylamino]-N-(2-methylpropylcarbamoyl)acetamide is COc1cccc(CN(C)CC(=O)NC(=O)NCC(C)C)c1.
What is the InChIKey of 2-[(3-methoxyphenyl)methyl-methylamino]-N-(2-methylpropylcarbamoyl)acetamide?
The InChIKey is MOZWIXMVLQIJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-12(2)9-17-16(21)18-15(20)11-19(3)10-13-6-5-7-14(8-13)22-4/h5-8,12H,9-11H2,1-4H3,(H2,17,18,20,21).
What are the key properties of 2-[(3-methoxyphenyl)methyl-methylamino]-N-(2-methylpropylcarbamoyl)acetamide?
2-[(3-methoxyphenyl)methyl-methylamino]-N-(2-methylpropylcarbamoyl)acetamide has a molecular weight of 307.39 g/mol, XLogP of 1.61, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenyl)methyl-methylamino]-N-(2-methylpropylcarbamoyl)acetamide is sourced from PubChem (CID 8780580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).