2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-[3-(2-methylphenoxy)-3-phenylpropyl]acetamide

C26H36N2O2 — CID 54759816

IUPAC2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-[3-(2-methylphenoxy)-3-phenylpropyl]acetamide
SMILESCc1ccccc1OC(CCN(C)C(=O)CC1(CN)CCCCC1)c1ccccc1
InChIInChI=1S/C26H36N2O2/c1-21-11-7-8-14-23(21)30-24(22-12-5-3-6-13-22)15-18-28(2)25(29)19-26(20-27)16-9-4-10-17-26/h3,5-8,11-14,24H,4,9-10,15-20,27H2,1-2H3
InChIKeyXWOBAOKXQZGGAC-UHFFFAOYSA-N
MW408.59 g/mol
LogP5.26
Rot. Bonds9

About 2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-[3-(2-methylphenoxy)-3-phenylpropyl]acetamide

2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-[3-(2-methylphenoxy)-3-phenylpropyl]acetamide (PubChem CID 54759816) has the molecular formula C26H36N2O2 and a molecular weight of 408.59 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-[3-(2-methylphenoxy)-3-phenylpropyl]acetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-[3-(2-methylphenoxy)-3-phenylpropyl]acetamide
PubChem CID54759816
Molecular FormulaC26H36N2O2
Molecular Weight408.59 g/mol
Exact Mass408.28
IUPAC Name2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-[3-(2-methylphenoxy)-3-phenylpropyl]acetamide
SMILESCc1ccccc1OC(CCN(C)C(=O)CC1(CN)CCCCC1)c1ccccc1
InChIInChI=1S/C26H36N2O2/c1-21-11-7-8-14-23(21)30-24(22-12-5-3-6-13-22)15-18-28(2)25(29)19-26(20-27)16-9-4-10-17-26/h3,5-8,11-14,24H,4,9-10,15-20,27H2,1-2H3
InChIKeyXWOBAOKXQZGGAC-UHFFFAOYSA-N
XLogP5.26
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.59
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[(3R)-3-(2-methylphenoxy)-3-phenylpropyl]acetamide
CID 124636638
N-methyl-3-(2-methylphenoxy)-3-phenyl-N-(3-phenylprop-1-en-2-yl)propan-1-amine
CID 143896627
2-[1-(aminomethyl)cyclohexyl]-N-[3-(5,8-dihydronaphthalen-1-yloxy)-4-thiophen-2-ylbutyl]-N-methylacetamide;2-[1-(aminomethyl)cyclohexyl]-N-(3,5-dimethyl-1-adamantyl)acetamide;2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-[3-(2-methylphenoxy)-3-phenylpropyl]acetamide;3-(aminomethyl)-N-[3-(5,8-dihydronaphthalen-1-yloxy)-4-thiophen-2-ylbutyl]-N,5-dimethylhexanamide;3-(aminomethyl)-N-(3,5-dimethyl-1-adamantyl)-5-methylhexanamide;3-(aminomethyl)-N,5-dimethyl-N-[3-(2-methylphenoxy)-3-phenylpropyl]hexanamide
CID 159391644
N-dimethoxyphosphoryl-N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine
CID 58600354
potassium (3R)-N-benzyl-N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine
CID 15980198
sodium (3R)-N-benzyl-N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine
CID 15980199
2-[1-(aminomethyl)cyclobutyl]-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 81172117
N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine;oxalic acid
CID 11609891
1-(3-chloro-1-phenylpropoxy)-2-methylbenzene
CID 14054163
[3-[2-(2-hydroxyethyl)phenoxy]-3-phenylpropyl]-methylcarbamic acid
CID 138687817
2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-[(2-methylfuran-3-yl)methyl]acetamide
CID 104678002
N-[3-(2-methylphenoxy)-3-phenylpropyl]propanamide
CID 90685594

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-[3-(2-methylphenoxy)-3-phenylpropyl]acetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-[3-(2-methylphenoxy)-3-phenylpropyl]acetamide (CID 54759816) is 2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-[3-(2-methylphenoxy)-3-phenylpropyl]acetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-[3-(2-methylphenoxy)-3-phenylpropyl]acetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-[3-(2-methylphenoxy)-3-phenylpropyl]acetamide is Cc1ccccc1OC(CCN(C)C(=O)CC1(CN)CCCCC1)c1ccccc1.
What is the InChIKey of 2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-[3-(2-methylphenoxy)-3-phenylpropyl]acetamide?
The InChIKey is XWOBAOKXQZGGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O2/c1-21-11-7-8-14-23(21)30-24(22-12-5-3-6-13-22)15-18-28(2)25(29)19-26(20-27)16-9-4-10-17-26/h3,5-8,11-14,24H,4,9-10,15-20,27H2,1-2H3.
What are the key properties of 2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-[3-(2-methylphenoxy)-3-phenylpropyl]acetamide?
2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-[3-(2-methylphenoxy)-3-phenylpropyl]acetamide has a molecular weight of 408.59 g/mol, XLogP of 5.26, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-[3-(2-methylphenoxy)-3-phenylpropyl]acetamide is sourced from PubChem (CID 54759816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).