methyl 2-[4-[[(3-carbamoylcyclohexyl)amino]methyl]-2,6-dimethylphenoxy]acetate

C19H28N2O4 — CID 119137541

IUPACmethyl 2-[4-[[(3-carbamoylcyclohexyl)amino]methyl]-2,6-dimethylphenoxy]acetate
SMILESCOC(=O)COc1c(C)cc(CNC2CCCC(C(N)=O)C2)cc1C
InChIInChI=1S/C19H28N2O4/c1-12-7-14(8-13(2)18(12)25-11-17(22)24-3)10-21-16-6-4-5-15(9-16)19(20)23/h7-8,15-16,21H,4-6,9-11H2,1-3H3,(H2,20,23)
InChIKeyAQKJJWBKNVOETP-UHFFFAOYSA-N
MW348.44 g/mol
LogP1.99
Rot. Bonds7

About methyl 2-[4-[[(3-carbamoylcyclohexyl)amino]methyl]-2,6-dimethylphenoxy]acetate

methyl 2-[4-[[(3-carbamoylcyclohexyl)amino]methyl]-2,6-dimethylphenoxy]acetate (PubChem CID 119137541) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is methyl 2-[4-[[(3-carbamoylcyclohexyl)amino]methyl]-2,6-dimethylphenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[[(3-carbamoylcyclohexyl)amino]methyl]-2,6-dimethylphenoxy]acetate
PubChem CID119137541
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Namemethyl 2-[4-[[(3-carbamoylcyclohexyl)amino]methyl]-2,6-dimethylphenoxy]acetate
SMILESCOC(=O)COc1c(C)cc(CNC2CCCC(C(N)=O)C2)cc1C
InChIInChI=1S/C19H28N2O4/c1-12-7-14(8-13(2)18(12)25-11-17(22)24-3)10-21-16-6-4-5-15(9-16)19(20)23/h7-8,15-16,21H,4-6,9-11H2,1-3H3,(H2,20,23)
InChIKeyAQKJJWBKNVOETP-UHFFFAOYSA-N
XLogP1.99
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-[4-[[(3-carbamoylcyclohexyl)amino]methyl]-2,6-dimethylphenoxy]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[4-[(cyclopropylamino)methyl]-2,6-dimethylphenoxy]acetate
CID 60880238
methyl 4-[4-[(cyclopropylamino)methyl]-2,6-dimethylphenoxy]butanoate
CID 60880078
methyl 2-[2,6-dibromo-4-[(cyclopropylamino)methyl]phenoxy]acetate
CID 107743288
methyl 4-[[(3-carbamoylcyclohexyl)amino]methyl]benzoate
CID 75516263
N-[[4-(2-methoxyethoxy)-3,5-dimethylphenyl]methyl]cyclopropanamine
CID 43276814
2-[4-[(cyclopropylamino)methyl]-2,6-dimethylphenoxy]-N-propylacetamide
CID 43276832
ethyl 2-[2,6-dibromo-4-[(cyclopropylamino)methyl]phenoxy]acetate
CID 107743418
N-[[4-(cyclobutylmethoxy)-3,5-dimethylphenyl]methyl]cyclopropanamine
CID 65459145
methyl 2-[4-[(cyclopropylamino)methyl]-2-methoxyphenoxy]acetate
CID 60881875
1-[4-[(cyclopropylamino)methyl]-2,6-dimethylphenoxy]-3-methoxypropan-2-ol
CID 63928973
N-[[3,5-dimethyl-4-(2-methylpropoxy)phenyl]methyl]cyclopropanamine
CID 43276817
2-[2-chloro-4-[(cyclopropylamino)methyl]-6-methoxyphenoxy]acetamide
CID 4720907

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[[(3-carbamoylcyclohexyl)amino]methyl]-2,6-dimethylphenoxy]acetate?
The IUPAC name of methyl 2-[4-[[(3-carbamoylcyclohexyl)amino]methyl]-2,6-dimethylphenoxy]acetate (CID 119137541) is methyl 2-[4-[[(3-carbamoylcyclohexyl)amino]methyl]-2,6-dimethylphenoxy]acetate.
What is the SMILES notation for methyl 2-[4-[[(3-carbamoylcyclohexyl)amino]methyl]-2,6-dimethylphenoxy]acetate?
The canonical SMILES for methyl 2-[4-[[(3-carbamoylcyclohexyl)amino]methyl]-2,6-dimethylphenoxy]acetate is COC(=O)COc1c(C)cc(CNC2CCCC(C(N)=O)C2)cc1C.
What is the InChIKey of methyl 2-[4-[[(3-carbamoylcyclohexyl)amino]methyl]-2,6-dimethylphenoxy]acetate?
The InChIKey is AQKJJWBKNVOETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-12-7-14(8-13(2)18(12)25-11-17(22)24-3)10-21-16-6-4-5-15(9-16)19(20)23/h7-8,15-16,21H,4-6,9-11H2,1-3H3,(H2,20,23).
What are the key properties of methyl 2-[4-[[(3-carbamoylcyclohexyl)amino]methyl]-2,6-dimethylphenoxy]acetate?
methyl 2-[4-[[(3-carbamoylcyclohexyl)amino]methyl]-2,6-dimethylphenoxy]acetate has a molecular weight of 348.44 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[[(3-carbamoylcyclohexyl)amino]methyl]-2,6-dimethylphenoxy]acetate is sourced from PubChem (CID 119137541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).