N-ethyl-2-[2-methoxy-4-[[(3-methylcyclohexyl)methylamino]methyl]phenoxy]acetamide

C20H32N2O3 — CID 47628113

IUPACN-ethyl-2-[2-methoxy-4-[[(3-methylcyclohexyl)methylamino]methyl]phenoxy]acetamide
SMILESCCNC(=O)COc1ccc(CNCC2CCCC(C)C2)cc1OC
InChIInChI=1S/C20H32N2O3/c1-4-22-20(23)14-25-18-9-8-17(11-19(18)24-3)13-21-12-16-7-5-6-15(2)10-16/h8-9,11,15-16,21H,4-7,10,12-14H2,1-3H3,(H,22,23)
InChIKeyBFIAJKSNGSKJPD-UHFFFAOYSA-N
MW348.49 g/mol
LogP3.13
Rot. Bonds9

About N-ethyl-2-[2-methoxy-4-[[(3-methylcyclohexyl)methylamino]methyl]phenoxy]acetamide

N-ethyl-2-[2-methoxy-4-[[(3-methylcyclohexyl)methylamino]methyl]phenoxy]acetamide (PubChem CID 47628113) has the molecular formula C20H32N2O3 and a molecular weight of 348.49 g/mol. Its IUPAC name is N-ethyl-2-[2-methoxy-4-[[(3-methylcyclohexyl)methylamino]methyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[2-methoxy-4-[[(3-methylcyclohexyl)methylamino]methyl]phenoxy]acetamide
PubChem CID47628113
Molecular FormulaC20H32N2O3
Molecular Weight348.49 g/mol
Exact Mass348.24
IUPAC NameN-ethyl-2-[2-methoxy-4-[[(3-methylcyclohexyl)methylamino]methyl]phenoxy]acetamide
SMILESCCNC(=O)COc1ccc(CNCC2CCCC(C)C2)cc1OC
InChIInChI=1S/C20H32N2O3/c1-4-22-20(23)14-25-18-9-8-17(11-19(18)24-3)13-21-12-16-7-5-6-15(2)10-16/h8-9,11,15-16,21H,4-7,10,12-14H2,1-3H3,(H,22,23)
InChIKeyBFIAJKSNGSKJPD-UHFFFAOYSA-N
XLogP3.13
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-(3-methylcyclopentyl)methanamine
CID 107412254
2-[5-[(cyclopropylamino)methyl]-2-methoxyphenoxy]-N-ethylacetamide
CID 43278862
2-[4-[[[cyclobutyl(phenyl)methyl]amino]methyl]-2-methoxyphenoxy]-N-ethylacetamide
CID 119122063
1-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]methanamine
CID 43317290
2-ethyl-2-[[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]methyl]butanoic acid
CID 122129258
N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 55745756
2-[4-[[[(2R)-butan-2-yl]amino]methyl]-2-methoxyphenoxy]-N-ethylacetamide
CID 94458976
2-[(4-ethoxy-3-methoxyphenyl)methylamino]-N-ethylacetamide
CID 43398915
N-(cyclopropylmethyl)-2-[2-methoxy-5-(methylaminomethyl)phenoxy]acetamide
CID 43278722
N-ethyl-2-[4-[[2-(3-fluorophenyl)ethylamino]methyl]-2-methoxyphenoxy]acetamide
CID 119109393
2-[4-[[(2R,4R)-4-(aminomethyl)-2-methylpyrrolidin-1-yl]methyl]-2-methoxyphenoxy]-N-ethylacetamide
CID 124731340
N-ethyl-2-[4-[[[(2S)-1-hydroxybutan-2-yl]amino]methyl]-2-methoxyphenoxy]acetamide
CID 94870303

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[2-methoxy-4-[[(3-methylcyclohexyl)methylamino]methyl]phenoxy]acetamide?
The IUPAC name of N-ethyl-2-[2-methoxy-4-[[(3-methylcyclohexyl)methylamino]methyl]phenoxy]acetamide (CID 47628113) is N-ethyl-2-[2-methoxy-4-[[(3-methylcyclohexyl)methylamino]methyl]phenoxy]acetamide.
What is the SMILES notation for N-ethyl-2-[2-methoxy-4-[[(3-methylcyclohexyl)methylamino]methyl]phenoxy]acetamide?
The canonical SMILES for N-ethyl-2-[2-methoxy-4-[[(3-methylcyclohexyl)methylamino]methyl]phenoxy]acetamide is CCNC(=O)COc1ccc(CNCC2CCCC(C)C2)cc1OC.
What is the InChIKey of N-ethyl-2-[2-methoxy-4-[[(3-methylcyclohexyl)methylamino]methyl]phenoxy]acetamide?
The InChIKey is BFIAJKSNGSKJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O3/c1-4-22-20(23)14-25-18-9-8-17(11-19(18)24-3)13-21-12-16-7-5-6-15(2)10-16/h8-9,11,15-16,21H,4-7,10,12-14H2,1-3H3,(H,22,23).
What are the key properties of N-ethyl-2-[2-methoxy-4-[[(3-methylcyclohexyl)methylamino]methyl]phenoxy]acetamide?
N-ethyl-2-[2-methoxy-4-[[(3-methylcyclohexyl)methylamino]methyl]phenoxy]acetamide has a molecular weight of 348.49 g/mol, XLogP of 3.13, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[2-methoxy-4-[[(3-methylcyclohexyl)methylamino]methyl]phenoxy]acetamide is sourced from PubChem (CID 47628113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).