2-[acetyl(cyclopropyl)amino]-N-[2-(3-methoxyphenyl)ethyl]acetamide

C16H22N2O3 — CID 113158342

IUPAC2-[acetyl(cyclopropyl)amino]-N-[2-(3-methoxyphenyl)ethyl]acetamide
SMILESCOc1cccc(CCNC(=O)CN(C(C)=O)C2CC2)c1
InChIInChI=1S/C16H22N2O3/c1-12(19)18(14-6-7-14)11-16(20)17-9-8-13-4-3-5-15(10-13)21-2/h3-5,10,14H,6-9,11H2,1-2H3,(H,17,20)
InChIKeyPSDJBSSIGOZVTB-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.36
Rot. Bonds7

About 2-[acetyl(cyclopropyl)amino]-N-[2-(3-methoxyphenyl)ethyl]acetamide

2-[acetyl(cyclopropyl)amino]-N-[2-(3-methoxyphenyl)ethyl]acetamide (PubChem CID 113158342) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-[acetyl(cyclopropyl)amino]-N-[2-(3-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[acetyl(cyclopropyl)amino]-N-[2-(3-methoxyphenyl)ethyl]acetamide
PubChem CID113158342
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-[acetyl(cyclopropyl)amino]-N-[2-(3-methoxyphenyl)ethyl]acetamide
SMILESCOc1cccc(CCNC(=O)CN(C(C)=O)C2CC2)c1
InChIInChI=1S/C16H22N2O3/c1-12(19)18(14-6-7-14)11-16(20)17-9-8-13-4-3-5-15(10-13)21-2/h3-5,10,14H,6-9,11H2,1-2H3,(H,17,20)
InChIKeyPSDJBSSIGOZVTB-UHFFFAOYSA-N
XLogP1.36
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropyl-[2-(3-methoxyphenyl)ethylcarbamoyl]amino]acetic acid
CID 103996280
2-[acetyl(cyclopropyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 113158352
2-(N-acetylanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 113167110
2-[acetyl(prop-2-enyl)amino]-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 113158522
2-hydroxy-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 94681482
2-(N-acetyl-4-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 113169252
2-[N-acetyl-4-(trifluoromethyl)anilino]-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 113175282
2-amino-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 22690352
2-(N-acetyl-3-fluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 113177608
2-(N-acetyl-2-fluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 113170749
N-[2-(3-methoxyphenyl)ethyl]-2-oxopropanamide
CID 110478240
2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 91841682

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(cyclopropyl)amino]-N-[2-(3-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[acetyl(cyclopropyl)amino]-N-[2-(3-methoxyphenyl)ethyl]acetamide (CID 113158342) is 2-[acetyl(cyclopropyl)amino]-N-[2-(3-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[acetyl(cyclopropyl)amino]-N-[2-(3-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[acetyl(cyclopropyl)amino]-N-[2-(3-methoxyphenyl)ethyl]acetamide is COc1cccc(CCNC(=O)CN(C(C)=O)C2CC2)c1.
What is the InChIKey of 2-[acetyl(cyclopropyl)amino]-N-[2-(3-methoxyphenyl)ethyl]acetamide?
The InChIKey is PSDJBSSIGOZVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-12(19)18(14-6-7-14)11-16(20)17-9-8-13-4-3-5-15(10-13)21-2/h3-5,10,14H,6-9,11H2,1-2H3,(H,17,20).
What are the key properties of 2-[acetyl(cyclopropyl)amino]-N-[2-(3-methoxyphenyl)ethyl]acetamide?
2-[acetyl(cyclopropyl)amino]-N-[2-(3-methoxyphenyl)ethyl]acetamide has a molecular weight of 290.36 g/mol, XLogP of 1.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(cyclopropyl)amino]-N-[2-(3-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 113158342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).