2-(3,5-dimethoxyphenyl)-2-(propan-2-ylamino)acetamide

C13H20N2O3 — CID 58785891

IUPAC2-(3,5-dimethoxyphenyl)-2-(propan-2-ylamino)acetamide
SMILESCOc1cc(OC)cc(C(NC(C)C)C(N)=O)c1
InChIInChI=1S/C13H20N2O3/c1-8(2)15-12(13(14)16)9-5-10(17-3)7-11(6-9)18-4/h5-8,12,15H,1-4H3,(H2,14,16)
InChIKeyJTQVDJDTYGVFFB-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.23
Rot. Bonds6

About 2-(3,5-dimethoxyphenyl)-2-(propan-2-ylamino)acetamide

2-(3,5-dimethoxyphenyl)-2-(propan-2-ylamino)acetamide (PubChem CID 58785891) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-(3,5-dimethoxyphenyl)-2-(propan-2-ylamino)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethoxyphenyl)-2-(propan-2-ylamino)acetamide
PubChem CID58785891
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-(3,5-dimethoxyphenyl)-2-(propan-2-ylamino)acetamide
SMILESCOc1cc(OC)cc(C(NC(C)C)C(N)=O)c1
InChIInChI=1S/C13H20N2O3/c1-8(2)15-12(13(14)16)9-5-10(17-3)7-11(6-9)18-4/h5-8,12,15H,1-4H3,(H2,14,16)
InChIKeyJTQVDJDTYGVFFB-UHFFFAOYSA-N
XLogP1.23
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dimethoxyphenyl)-2-(propan-2-ylamino)acetic acid
CID 43754392
2-(3,5-dimethoxyphenyl)-2-(2-methylpropylamino)acetamide
CID 54891131
methyl 2-(3-methoxyphenyl)-2-(propan-2-ylamino)acetate
CID 60786504
methyl 2-(butan-2-ylamino)-2-(3,5-dimethoxyphenyl)acetate
CID 61024922
2-(cyclopropylamino)-2-(3,5-dimethoxyphenyl)acetamide
CID 60796181
2-(4-methoxy-3-methylphenyl)-2-(propan-2-ylamino)acetamide
CID 55039856
1,3,5-trimethoxybenzene;urea
CID 174919725
methyl 3-(3,5-dimethoxyphenyl)-3-hydroxy-2-methylpropanoate
CID 55071502
methyl (2R)-2-chloro-2-(3,5-dimethoxyphenyl)acetate
CID 94376627
[(2S)-2-(3,5-dimethoxyphenyl)propyl] carbamate
CID 146173874
methyl 3-(3,5-dimethoxyphenyl)-2,3-dihydroxypropanoate
CID 171864351
methyl 2-(3-ethoxyphenyl)-2-(propan-2-ylamino)acetate
CID 60873533

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethoxyphenyl)-2-(propan-2-ylamino)acetamide?
The IUPAC name of 2-(3,5-dimethoxyphenyl)-2-(propan-2-ylamino)acetamide (CID 58785891) is 2-(3,5-dimethoxyphenyl)-2-(propan-2-ylamino)acetamide.
What is the SMILES notation for 2-(3,5-dimethoxyphenyl)-2-(propan-2-ylamino)acetamide?
The canonical SMILES for 2-(3,5-dimethoxyphenyl)-2-(propan-2-ylamino)acetamide is COc1cc(OC)cc(C(NC(C)C)C(N)=O)c1.
What is the InChIKey of 2-(3,5-dimethoxyphenyl)-2-(propan-2-ylamino)acetamide?
The InChIKey is JTQVDJDTYGVFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-8(2)15-12(13(14)16)9-5-10(17-3)7-11(6-9)18-4/h5-8,12,15H,1-4H3,(H2,14,16).
What are the key properties of 2-(3,5-dimethoxyphenyl)-2-(propan-2-ylamino)acetamide?
2-(3,5-dimethoxyphenyl)-2-(propan-2-ylamino)acetamide has a molecular weight of 252.31 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethoxyphenyl)-2-(propan-2-ylamino)acetamide is sourced from PubChem (CID 58785891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).