N-(2-cyclopropyl-2-hydroxypropyl)-2-(3,4-dimethoxyphenyl)acetamide

C16H23NO4 — CID 52992765

IUPACN-(2-cyclopropyl-2-hydroxypropyl)-2-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCC(C)(O)C2CC2)cc1OC
InChIInChI=1S/C16H23NO4/c1-16(19,12-5-6-12)10-17-15(18)9-11-4-7-13(20-2)14(8-11)21-3/h4,7-8,12,19H,5-6,9-10H2,1-3H3,(H,17,18)
InChIKeyDLLSTLKCZCRZOR-UHFFFAOYSA-N
MW293.36 g/mol
LogP1.52
Rot. Bonds7

About N-(2-cyclopropyl-2-hydroxypropyl)-2-(3,4-dimethoxyphenyl)acetamide

N-(2-cyclopropyl-2-hydroxypropyl)-2-(3,4-dimethoxyphenyl)acetamide (PubChem CID 52992765) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-hydroxypropyl)-2-(3,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-hydroxypropyl)-2-(3,4-dimethoxyphenyl)acetamide
PubChem CID52992765
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC NameN-(2-cyclopropyl-2-hydroxypropyl)-2-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCC(C)(O)C2CC2)cc1OC
InChIInChI=1S/C16H23NO4/c1-16(19,12-5-6-12)10-17-15(18)9-11-4-7-13(20-2)14(8-11)21-3/h4,7-8,12,19H,5-6,9-10H2,1-3H3,(H,17,18)
InChIKeyDLLSTLKCZCRZOR-UHFFFAOYSA-N
XLogP1.52
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 71781508
N-(4-amino-2,2-dimethylbutyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 106140185
2-(3,4-dimethoxyphenyl)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 90498248
N-(2-amino-2-ethylbutyl)-2-(3,4-dimethoxyphenyl)acetamide;hydrochloride
CID 119641340
2-(3,4-dimethoxyphenyl)-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]acetamide
CID 95376510
N-(2-bromo-2-cyclopropylethyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 114315916
2-(3,4-dimethoxyphenyl)-N-[2-(2-fluorophenyl)-2-methoxypropyl]acetamide
CID 90599157
N-cycloheptyl-2-(3,4-dimethoxyphenyl)acetamide
CID 720355
3-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]-2,2-dimethylpropanamide
CID 56813750
N-[(1-aminocyclohexyl)methyl]-2-(3,4-dimethoxyphenyl)acetamide;hydrochloride
CID 119404276
N-[2-[(2-chloroacetyl)amino]ethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 108575225
2-(3,4-dimethoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]acetamide
CID 82725203

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-2-hydroxypropyl)-2-(3,4-dimethoxyphenyl)acetamide?
The IUPAC name of N-(2-cyclopropyl-2-hydroxypropyl)-2-(3,4-dimethoxyphenyl)acetamide (CID 52992765) is N-(2-cyclopropyl-2-hydroxypropyl)-2-(3,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for N-(2-cyclopropyl-2-hydroxypropyl)-2-(3,4-dimethoxyphenyl)acetamide?
The canonical SMILES for N-(2-cyclopropyl-2-hydroxypropyl)-2-(3,4-dimethoxyphenyl)acetamide is COc1ccc(CC(=O)NCC(C)(O)C2CC2)cc1OC.
What is the InChIKey of N-(2-cyclopropyl-2-hydroxypropyl)-2-(3,4-dimethoxyphenyl)acetamide?
The InChIKey is DLLSTLKCZCRZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-16(19,12-5-6-12)10-17-15(18)9-11-4-7-13(20-2)14(8-11)21-3/h4,7-8,12,19H,5-6,9-10H2,1-3H3,(H,17,18).
What are the key properties of N-(2-cyclopropyl-2-hydroxypropyl)-2-(3,4-dimethoxyphenyl)acetamide?
N-(2-cyclopropyl-2-hydroxypropyl)-2-(3,4-dimethoxyphenyl)acetamide has a molecular weight of 293.36 g/mol, XLogP of 1.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-2-hydroxypropyl)-2-(3,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 52992765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).