[2-(cycloheptylamino)-2-oxoethyl] 2-(2-propan-2-ylphenoxy)acetate

C20H29NO4 — CID 7903929

IUPAC[2-(cycloheptylamino)-2-oxoethyl] 2-(2-propan-2-ylphenoxy)acetate
SMILESCC(C)c1ccccc1OCC(=O)OCC(=O)NC1CCCCCC1
InChIInChI=1S/C20H29NO4/c1-15(2)17-11-7-8-12-18(17)24-14-20(23)25-13-19(22)21-16-9-5-3-4-6-10-16/h7-8,11-12,15-16H,3-6,9-10,13-14H2,1-2H3,(H,21,22)
InChIKeyKHFANFAMDJZSFM-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.57
Rot. Bonds7

About [2-(cycloheptylamino)-2-oxoethyl] 2-(2-propan-2-ylphenoxy)acetate

[2-(cycloheptylamino)-2-oxoethyl] 2-(2-propan-2-ylphenoxy)acetate (PubChem CID 7903929) has the molecular formula C20H29NO4 and a molecular weight of 347.46 g/mol. Its IUPAC name is [2-(cycloheptylamino)-2-oxoethyl] 2-(2-propan-2-ylphenoxy)acetate.

Molecular Properties

Compound Name[2-(cycloheptylamino)-2-oxoethyl] 2-(2-propan-2-ylphenoxy)acetate
PubChem CID7903929
Molecular FormulaC20H29NO4
Molecular Weight347.46 g/mol
Exact Mass347.21
IUPAC Name[2-(cycloheptylamino)-2-oxoethyl] 2-(2-propan-2-ylphenoxy)acetate
SMILESCC(C)c1ccccc1OCC(=O)OCC(=O)NC1CCCCCC1
InChIInChI=1S/C20H29NO4/c1-15(2)17-11-7-8-12-18(17)24-14-20(23)25-13-19(22)21-16-9-5-3-4-6-10-16/h7-8,11-12,15-16H,3-6,9-10,13-14H2,1-2H3,(H,21,22)
InChIKeyKHFANFAMDJZSFM-UHFFFAOYSA-N
XLogP3.57
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-2-(2-propan-2-ylphenoxy)acetamide
CID 725880
2-[2-(1-aminoethyl)phenoxy]-N-cyclohexylacetamide
CID 43186044
N-cycloheptyl-2-[2-[(1S)-1-hydroxyethyl]phenoxy]acetamide
CID 78933846
N-(cyclohexylcarbamothioyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 19188194
[2-(cyclopentylamino)-2-oxoethyl] 2-(2-propoxyphenoxy)acetate
CID 7791219
N-cyclohexyl-2-(2-ethoxyphenoxy)acetamide
CID 731871
N-cyclohexyl-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 94840112
(2-benzamido-2-oxoethyl) 2-(2-propan-2-ylphenoxy)acetate
CID 7903758
[2-(cyclohexylamino)-2-oxoethyl] 4-(2-methoxyphenyl)-3-methylbutanoate
CID 86899049
N-cycloheptyl-2-(2-propan-2-ylphenoxy)propanamide
CID 43904274
1-cyclopentyl-2-(2-propan-2-ylphenoxy)ethanone
CID 104751801
N-cyclohexyl-3-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzamide
CID 17170482

Frequently Asked Questions

What is the IUPAC name of [2-(cycloheptylamino)-2-oxoethyl] 2-(2-propan-2-ylphenoxy)acetate?
The IUPAC name of [2-(cycloheptylamino)-2-oxoethyl] 2-(2-propan-2-ylphenoxy)acetate (CID 7903929) is [2-(cycloheptylamino)-2-oxoethyl] 2-(2-propan-2-ylphenoxy)acetate.
What is the SMILES notation for [2-(cycloheptylamino)-2-oxoethyl] 2-(2-propan-2-ylphenoxy)acetate?
The canonical SMILES for [2-(cycloheptylamino)-2-oxoethyl] 2-(2-propan-2-ylphenoxy)acetate is CC(C)c1ccccc1OCC(=O)OCC(=O)NC1CCCCCC1.
What is the InChIKey of [2-(cycloheptylamino)-2-oxoethyl] 2-(2-propan-2-ylphenoxy)acetate?
The InChIKey is KHFANFAMDJZSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO4/c1-15(2)17-11-7-8-12-18(17)24-14-20(23)25-13-19(22)21-16-9-5-3-4-6-10-16/h7-8,11-12,15-16H,3-6,9-10,13-14H2,1-2H3,(H,21,22).
What are the key properties of [2-(cycloheptylamino)-2-oxoethyl] 2-(2-propan-2-ylphenoxy)acetate?
[2-(cycloheptylamino)-2-oxoethyl] 2-(2-propan-2-ylphenoxy)acetate has a molecular weight of 347.46 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cycloheptylamino)-2-oxoethyl] 2-(2-propan-2-ylphenoxy)acetate is sourced from PubChem (CID 7903929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).