2-[4-(2-aminoethoxy)-3-methoxyphenyl]-N-(3-cycloheptylphenyl)acetamide

C24H32N2O3 — CID 22019572

IUPAC2-[4-(2-aminoethoxy)-3-methoxyphenyl]-N-(3-cycloheptylphenyl)acetamide
SMILESCOc1cc(CC(=O)Nc2cccc(C3CCCCCC3)c2)ccc1OCCN
InChIInChI=1S/C24H32N2O3/c1-28-23-15-18(11-12-22(23)29-14-13-25)16-24(27)26-21-10-6-9-20(17-21)19-7-4-2-3-5-8-19/h6,9-12,15,17,19H,2-5,7-8,13-14,16,25H2,1H3,(H,26,27)
InChIKeyDHSNCYUBBGFIAC-UHFFFAOYSA-N
MW396.53 g/mol
LogP4.65
Rot. Bonds8

About 2-[4-(2-aminoethoxy)-3-methoxyphenyl]-N-(3-cycloheptylphenyl)acetamide

2-[4-(2-aminoethoxy)-3-methoxyphenyl]-N-(3-cycloheptylphenyl)acetamide (PubChem CID 22019572) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is 2-[4-(2-aminoethoxy)-3-methoxyphenyl]-N-(3-cycloheptylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-aminoethoxy)-3-methoxyphenyl]-N-(3-cycloheptylphenyl)acetamide
PubChem CID22019572
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC Name2-[4-(2-aminoethoxy)-3-methoxyphenyl]-N-(3-cycloheptylphenyl)acetamide
SMILESCOc1cc(CC(=O)Nc2cccc(C3CCCCCC3)c2)ccc1OCCN
InChIInChI=1S/C24H32N2O3/c1-28-23-15-18(11-12-22(23)29-14-13-25)16-24(27)26-21-10-6-9-20(17-21)19-7-4-2-3-5-8-19/h6,9-12,15,17,19H,2-5,7-8,13-14,16,25H2,1H3,(H,26,27)
InChIKeyDHSNCYUBBGFIAC-UHFFFAOYSA-N
XLogP4.65
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(4-tert-butylcyclohexyl)phenyl]-2-[4-(2-formamidoethoxy)-3-methoxyphenyl]acetamide
CID 22019592
N-[3-(4-butylcyclohexyl)phenyl]-2-[4-(2-formamidoethoxy)-3-methoxyphenyl]acetamide
CID 142193396
[4-[2-[3-(4-butylcyclohexyl)anilino]-2-oxoethyl]-2-methoxyphenyl] acetate
CID 142193429
[4-[3-[[2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]phenyl]cyclohexyl] acetate
CID 162747260
2-(5-fluoro-2-methoxyphenyl)-N-(3-piperidin-4-ylphenyl)acetamide
CID 172895402
N-cycloheptyl-2-(3,4-dimethoxyphenyl)acetamide
CID 720355
N-[3-(2-cyclohexylethyl)phenyl]-2-(4-hydroxy-3-methoxyphenyl)acetamide
CID 22019671
tert-butyl N-[2-[4-[2-(3-iodoanilino)-2-oxoethyl]-2-methoxyphenoxy]ethyl]carbamate
CID 22019609
2-(3,4-dimethoxyphenyl)-N-[3-(ethylaminomethyl)phenyl]acetamide;hydrochloride
CID 119438239
methyl 2-(3-cyclohexylphenyl)acetate
CID 54492960
2-(3-cyclopropylphenyl)-N-(4-methoxyphenyl)acetamide
CID 166236800
2-(3,4-dimethoxyphenyl)-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]acetamide
CID 26555064

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoethoxy)-3-methoxyphenyl]-N-(3-cycloheptylphenyl)acetamide?
The IUPAC name of 2-[4-(2-aminoethoxy)-3-methoxyphenyl]-N-(3-cycloheptylphenyl)acetamide (CID 22019572) is 2-[4-(2-aminoethoxy)-3-methoxyphenyl]-N-(3-cycloheptylphenyl)acetamide.
What is the SMILES notation for 2-[4-(2-aminoethoxy)-3-methoxyphenyl]-N-(3-cycloheptylphenyl)acetamide?
The canonical SMILES for 2-[4-(2-aminoethoxy)-3-methoxyphenyl]-N-(3-cycloheptylphenyl)acetamide is COc1cc(CC(=O)Nc2cccc(C3CCCCCC3)c2)ccc1OCCN.
What is the InChIKey of 2-[4-(2-aminoethoxy)-3-methoxyphenyl]-N-(3-cycloheptylphenyl)acetamide?
The InChIKey is DHSNCYUBBGFIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3/c1-28-23-15-18(11-12-22(23)29-14-13-25)16-24(27)26-21-10-6-9-20(17-21)19-7-4-2-3-5-8-19/h6,9-12,15,17,19H,2-5,7-8,13-14,16,25H2,1H3,(H,26,27).
What are the key properties of 2-[4-(2-aminoethoxy)-3-methoxyphenyl]-N-(3-cycloheptylphenyl)acetamide?
2-[4-(2-aminoethoxy)-3-methoxyphenyl]-N-(3-cycloheptylphenyl)acetamide has a molecular weight of 396.53 g/mol, XLogP of 4.65, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminoethoxy)-3-methoxyphenyl]-N-(3-cycloheptylphenyl)acetamide is sourced from PubChem (CID 22019572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).