[2-(cyclohexylamino)-2-oxoethyl] 4-(2-methoxyphenyl)-3-methylbutanoate

C20H29NO4 — CID 86899049

IUPAC[2-(cyclohexylamino)-2-oxoethyl] 4-(2-methoxyphenyl)-3-methylbutanoate
SMILESCOc1ccccc1CC(C)CC(=O)OCC(=O)NC1CCCCC1
InChIInChI=1S/C20H29NO4/c1-15(12-16-8-6-7-11-18(16)24-2)13-20(23)25-14-19(22)21-17-9-4-3-5-10-17/h6-8,11,15,17H,3-5,9-10,12-14H2,1-2H3,(H,21,22)
InChIKeyLZEKARWRCWRDMB-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.26
Rot. Bonds8

About [2-(cyclohexylamino)-2-oxoethyl] 4-(2-methoxyphenyl)-3-methylbutanoate

[2-(cyclohexylamino)-2-oxoethyl] 4-(2-methoxyphenyl)-3-methylbutanoate (PubChem CID 86899049) has the molecular formula C20H29NO4 and a molecular weight of 347.46 g/mol. Its IUPAC name is [2-(cyclohexylamino)-2-oxoethyl] 4-(2-methoxyphenyl)-3-methylbutanoate.

Molecular Properties

Compound Name[2-(cyclohexylamino)-2-oxoethyl] 4-(2-methoxyphenyl)-3-methylbutanoate
PubChem CID86899049
Molecular FormulaC20H29NO4
Molecular Weight347.46 g/mol
Exact Mass347.21
IUPAC Name[2-(cyclohexylamino)-2-oxoethyl] 4-(2-methoxyphenyl)-3-methylbutanoate
SMILESCOc1ccccc1CC(C)CC(=O)OCC(=O)NC1CCCCC1
InChIInChI=1S/C20H29NO4/c1-15(12-16-8-6-7-11-18(16)24-2)13-20(23)25-14-19(22)21-17-9-4-3-5-10-17/h6-8,11,15,17H,3-5,9-10,12-14H2,1-2H3,(H,21,22)
InChIKeyLZEKARWRCWRDMB-UHFFFAOYSA-N
XLogP3.26
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-aminocyclohexyl)-4-(2-methoxyphenyl)-3-methylbutanamide
CID 119474760
N-(4-aminocyclohexyl)-4-(2-methoxyphenyl)-3-methylbutanamide;hydrochloride
CID 119474759
4-(2-methoxyphenyl)-3-methyl-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119449852
[2-(cycloheptylamino)-2-oxoethyl] 2-(2-propan-2-ylphenoxy)acetate
CID 7903929
N-cyclopropyl-2-[1-(2-methoxyphenyl)propan-2-ylamino]acetamide
CID 43777963
2-[2-(1-aminoethyl)phenoxy]-N-cyclohexylacetamide
CID 43186044
(3S)-4-(2-methoxyphenyl)-3-methyl-1-[(3S)-3-(methylamino)piperidin-1-yl]butan-1-one
CID 124574688
[2-(cyclooctylamino)-2-oxoethyl] 2-naphthalen-1-ylacetate
CID 2625308
N-cyclohexyl-3-[2-(2-methoxyphenyl)ethylamino]propanamide
CID 109013977
[2-(cyclohexylamino)-2-oxoethyl] 2,3-dimethoxybenzoate
CID 2503827
[2-(cyclohexylamino)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate
CID 18075577
N-cyclohexyl-2-(2-propan-2-ylphenoxy)acetamide
CID 725880

Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylamino)-2-oxoethyl] 4-(2-methoxyphenyl)-3-methylbutanoate?
The IUPAC name of [2-(cyclohexylamino)-2-oxoethyl] 4-(2-methoxyphenyl)-3-methylbutanoate (CID 86899049) is [2-(cyclohexylamino)-2-oxoethyl] 4-(2-methoxyphenyl)-3-methylbutanoate.
What is the SMILES notation for [2-(cyclohexylamino)-2-oxoethyl] 4-(2-methoxyphenyl)-3-methylbutanoate?
The canonical SMILES for [2-(cyclohexylamino)-2-oxoethyl] 4-(2-methoxyphenyl)-3-methylbutanoate is COc1ccccc1CC(C)CC(=O)OCC(=O)NC1CCCCC1.
What is the InChIKey of [2-(cyclohexylamino)-2-oxoethyl] 4-(2-methoxyphenyl)-3-methylbutanoate?
The InChIKey is LZEKARWRCWRDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO4/c1-15(12-16-8-6-7-11-18(16)24-2)13-20(23)25-14-19(22)21-17-9-4-3-5-10-17/h6-8,11,15,17H,3-5,9-10,12-14H2,1-2H3,(H,21,22).
What are the key properties of [2-(cyclohexylamino)-2-oxoethyl] 4-(2-methoxyphenyl)-3-methylbutanoate?
[2-(cyclohexylamino)-2-oxoethyl] 4-(2-methoxyphenyl)-3-methylbutanoate has a molecular weight of 347.46 g/mol, XLogP of 3.26, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylamino)-2-oxoethyl] 4-(2-methoxyphenyl)-3-methylbutanoate is sourced from PubChem (CID 86899049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).