2-amino-N-[2-(3,4-dimethoxyphenyl)propan-2-yl]acetamide

C13H20N2O3 — CID 110459405

IUPAC2-amino-N-[2-(3,4-dimethoxyphenyl)propan-2-yl]acetamide
SMILESCOc1ccc(C(C)(C)NC(=O)CN)cc1OC
InChIInChI=1S/C13H20N2O3/c1-13(2,15-12(16)8-14)9-5-6-10(17-3)11(7-9)18-4/h5-7H,8,14H2,1-4H3,(H,15,16)
InChIKeyWADNUCMYVXLGNT-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.01
Rot. Bonds5

About 2-amino-N-[2-(3,4-dimethoxyphenyl)propan-2-yl]acetamide

2-amino-N-[2-(3,4-dimethoxyphenyl)propan-2-yl]acetamide (PubChem CID 110459405) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-amino-N-[2-(3,4-dimethoxyphenyl)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-(3,4-dimethoxyphenyl)propan-2-yl]acetamide
PubChem CID110459405
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-amino-N-[2-(3,4-dimethoxyphenyl)propan-2-yl]acetamide
SMILESCOc1ccc(C(C)(C)NC(=O)CN)cc1OC
InChIInChI=1S/C13H20N2O3/c1-13(2,15-12(16)8-14)9-5-6-10(17-3)11(7-9)18-4/h5-7H,8,14H2,1-4H3,(H,15,16)
InChIKeyWADNUCMYVXLGNT-UHFFFAOYSA-N
XLogP1.01
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)propan-2-yl]butanamide
CID 113091518
N-[2-(3,4-dimethoxyphenyl)propan-2-yl]-2-(methylamino)acetamide
CID 110460450
N-[2-(3,4-dimethoxyphenyl)propan-2-yl]acetamide
CID 110441193
N-[2-(3,4-dimethoxyphenyl)propan-2-yl]-2-(4-methylphenoxy)acetamide
CID 113091527
2-(4-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)propan-2-yl]acetamide
CID 113091536
2-(3,4-dimethoxyphenyl)-N-(2-phenylpropan-2-yl)acetamide
CID 113091742
N-[2-(3,4-dimethoxyphenyl)propan-2-yl]pyrrolidine-1-carboxamide
CID 113216584
1-[2-(3,4-dimethoxyphenyl)propan-2-yl]-3-pentylurea
CID 113216646
2-amino-2-(3,4-dimethoxyphenyl)propanoic acid;hydrochloride
CID 82133157
2-amino-N-[2-(3-methylphenyl)propan-2-yl]acetamide;hydrochloride
CID 119330311
1-(3,5-dichlorophenyl)-3-[2-(3,4-dimethoxyphenyl)propan-2-yl]urea
CID 113216726
1-(2,6-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)propan-2-yl]urea
CID 113216737

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(3,4-dimethoxyphenyl)propan-2-yl]acetamide?
The IUPAC name of 2-amino-N-[2-(3,4-dimethoxyphenyl)propan-2-yl]acetamide (CID 110459405) is 2-amino-N-[2-(3,4-dimethoxyphenyl)propan-2-yl]acetamide.
What is the SMILES notation for 2-amino-N-[2-(3,4-dimethoxyphenyl)propan-2-yl]acetamide?
The canonical SMILES for 2-amino-N-[2-(3,4-dimethoxyphenyl)propan-2-yl]acetamide is COc1ccc(C(C)(C)NC(=O)CN)cc1OC.
What is the InChIKey of 2-amino-N-[2-(3,4-dimethoxyphenyl)propan-2-yl]acetamide?
The InChIKey is WADNUCMYVXLGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-13(2,15-12(16)8-14)9-5-6-10(17-3)11(7-9)18-4/h5-7H,8,14H2,1-4H3,(H,15,16).
What are the key properties of 2-amino-N-[2-(3,4-dimethoxyphenyl)propan-2-yl]acetamide?
2-amino-N-[2-(3,4-dimethoxyphenyl)propan-2-yl]acetamide has a molecular weight of 252.31 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(3,4-dimethoxyphenyl)propan-2-yl]acetamide is sourced from PubChem (CID 110459405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).