2-[acetyl(cyclopropyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide

C17H24N2O4 — CID 113158352

IUPAC2-[acetyl(cyclopropyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)CN(C(C)=O)C2CC2)cc1OC
InChIInChI=1S/C17H24N2O4/c1-12(20)19(14-5-6-14)11-17(21)18-9-8-13-4-7-15(22-2)16(10-13)23-3/h4,7,10,14H,5-6,8-9,11H2,1-3H3,(H,18,21)
InChIKeyBYNUAAZNXYWKOE-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.37
Rot. Bonds8

About 2-[acetyl(cyclopropyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide

2-[acetyl(cyclopropyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide (PubChem CID 113158352) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-[acetyl(cyclopropyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[acetyl(cyclopropyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
PubChem CID113158352
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name2-[acetyl(cyclopropyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)CN(C(C)=O)C2CC2)cc1OC
InChIInChI=1S/C17H24N2O4/c1-12(20)19(14-5-6-14)11-17(21)18-9-8-13-4-7-15(22-2)16(10-13)23-3/h4,7,10,14H,5-6,8-9,11H2,1-3H3,(H,18,21)
InChIKeyBYNUAAZNXYWKOE-UHFFFAOYSA-N
XLogP1.37
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[acetyl(cyclopropyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 113115368
2-[acetyl(cyclopropyl)amino]-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 113158342
2-[acetyl(2-methylpropyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 113158865
2-(N-acetyl-2,4,6-trimethylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 113169973
2-[N-acetyl-4-(dimethylamino)anilino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 113176699
N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide;trihydrate
CID 70552532
3-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-sulfanylidenepropanamide
CID 28942362
2-(cyclopropylcarbamoylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 112994029
2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 21175171
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 9246100
2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 113159656
2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 2279376

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(cyclopropyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[acetyl(cyclopropyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide (CID 113158352) is 2-[acetyl(cyclopropyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[acetyl(cyclopropyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[acetyl(cyclopropyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide is COc1ccc(CCNC(=O)CN(C(C)=O)C2CC2)cc1OC.
What is the InChIKey of 2-[acetyl(cyclopropyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
The InChIKey is BYNUAAZNXYWKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-12(20)19(14-5-6-14)11-17(21)18-9-8-13-4-7-15(22-2)16(10-13)23-3/h4,7,10,14H,5-6,8-9,11H2,1-3H3,(H,18,21).
What are the key properties of 2-[acetyl(cyclopropyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
2-[acetyl(cyclopropyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide has a molecular weight of 320.39 g/mol, XLogP of 1.37, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(cyclopropyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 113158352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).