2-[(2,3-dimethoxyphenyl)methylamino]-N-propan-2-ylacetamide

C14H22N2O3 — CID 43400002

IUPAC2-[(2,3-dimethoxyphenyl)methylamino]-N-propan-2-ylacetamide
SMILESCOc1cccc(CNCC(=O)NC(C)C)c1OC
InChIInChI=1S/C14H22N2O3/c1-10(2)16-13(17)9-15-8-11-6-5-7-12(18-3)14(11)19-4/h5-7,10,15H,8-9H2,1-4H3,(H,16,17)
InChIKeyUQSBPIFPOFWTPM-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.32
Rot. Bonds7

About 2-[(2,3-dimethoxyphenyl)methylamino]-N-propan-2-ylacetamide

2-[(2,3-dimethoxyphenyl)methylamino]-N-propan-2-ylacetamide (PubChem CID 43400002) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[(2,3-dimethoxyphenyl)methylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(2,3-dimethoxyphenyl)methylamino]-N-propan-2-ylacetamide
PubChem CID43400002
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2-[(2,3-dimethoxyphenyl)methylamino]-N-propan-2-ylacetamide
SMILESCOc1cccc(CNCC(=O)NC(C)C)c1OC
InChIInChI=1S/C14H22N2O3/c1-10(2)16-13(17)9-15-8-11-6-5-7-12(18-3)14(11)19-4/h5-7,10,15H,8-9H2,1-4H3,(H,16,17)
InChIKeyUQSBPIFPOFWTPM-UHFFFAOYSA-N
XLogP1.32
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-propan-2-yl-2-[(2,3,4-trimethoxyphenyl)methylamino]acetamide
CID 43400025
2-[(2-methoxyphenyl)methylamino]-N-(3-methylbutan-2-yl)acetamide
CID 60688505
2-[(2,3-dihydroxyphenyl)methylamino]-N-propan-2-ylacetamide
CID 61318874
1-[(2,3-dimethoxyphenyl)methyl]-2-methyl-3-propan-2-ylguanidine
CID 111126267
N-[(2,3-dimethoxyphenyl)methyl]-2,3-dimethylbutan-1-amine
CID 64569277
N-[(2,3-dimethoxyphenyl)methyl]-2-methoxyacetamide
CID 47161214
N-[(2,3-dimethoxyphenyl)methyl]-2-methoxypropan-1-amine
CID 102696375
2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]-N-propan-2-ylacetamide
CID 43224154
2-[(2,3-dimethoxyphenyl)methylamino]ethanol
CID 4717256
N-tert-butyl-2-[(3-ethoxy-2-methoxyphenyl)methylamino]acetamide
CID 115281366
2-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]-N-propylacetamide
CID 43406329
1-[(2,3-dimethoxyphenyl)methylamino]-2,3-dimethylbutan-2-ol
CID 111118479

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dimethoxyphenyl)methylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(2,3-dimethoxyphenyl)methylamino]-N-propan-2-ylacetamide (CID 43400002) is 2-[(2,3-dimethoxyphenyl)methylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(2,3-dimethoxyphenyl)methylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(2,3-dimethoxyphenyl)methylamino]-N-propan-2-ylacetamide is COc1cccc(CNCC(=O)NC(C)C)c1OC.
What is the InChIKey of 2-[(2,3-dimethoxyphenyl)methylamino]-N-propan-2-ylacetamide?
The InChIKey is UQSBPIFPOFWTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-10(2)16-13(17)9-15-8-11-6-5-7-12(18-3)14(11)19-4/h5-7,10,15H,8-9H2,1-4H3,(H,16,17).
What are the key properties of 2-[(2,3-dimethoxyphenyl)methylamino]-N-propan-2-ylacetamide?
2-[(2,3-dimethoxyphenyl)methylamino]-N-propan-2-ylacetamide has a molecular weight of 266.34 g/mol, XLogP of 1.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dimethoxyphenyl)methylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 43400002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).