methyl 4-[[2-[cyclohexyl(ethyl)amino]acetyl]amino]benzoate

C18H26N2O3 — CID 2338850

IUPACmethyl 4-[[2-[cyclohexyl(ethyl)amino]acetyl]amino]benzoate
SMILESCCN(CC(=O)Nc1ccc(C(=O)OC)cc1)C1CCCCC1
InChIInChI=1S/C18H26N2O3/c1-3-20(16-7-5-4-6-8-16)13-17(21)19-15-11-9-14(10-12-15)18(22)23-2/h9-12,16H,3-8,13H2,1-2H3,(H,19,21)
InChIKeyVJSFVTRKIBMYPN-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.07
Rot. Bonds6

About methyl 4-[[2-[cyclohexyl(ethyl)amino]acetyl]amino]benzoate

methyl 4-[[2-[cyclohexyl(ethyl)amino]acetyl]amino]benzoate (PubChem CID 2338850) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is methyl 4-[[2-[cyclohexyl(ethyl)amino]acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-[cyclohexyl(ethyl)amino]acetyl]amino]benzoate
PubChem CID2338850
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Namemethyl 4-[[2-[cyclohexyl(ethyl)amino]acetyl]amino]benzoate
SMILESCCN(CC(=O)Nc1ccc(C(=O)OC)cc1)C1CCCCC1
InChIInChI=1S/C18H26N2O3/c1-3-20(16-7-5-4-6-8-16)13-17(21)19-15-11-9-14(10-12-15)18(22)23-2/h9-12,16H,3-8,13H2,1-2H3,(H,19,21)
InChIKeyVJSFVTRKIBMYPN-UHFFFAOYSA-N
XLogP3.07
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-[[2-[cyclohexyl(ethyl)amino]acetyl]amino]benzoate 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

Padimate-O
CID 30541
Benzonatate
CID 7699
Tetracaine
CID 5411
Butacaine
CID 2480
Tetracaine Hydrochloride
CID 8695
Ethyl 4-(dimethylamino)benzoate
CID 25127
Tolycaine
CID 72137
Dimethocaine
CID 7177
Ethyl 4-((2-(1-piperidinyl)acetyl)amino)benzoate
CID 3300
Benzoic acid, 4-(dimethylamino)-, pentyl ester
CID 26890
Deanol Acetamidobenzoate
CID 19265
Ferrostatin-1
CID 4068248

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-[cyclohexyl(ethyl)amino]acetyl]amino]benzoate?
The IUPAC name of methyl 4-[[2-[cyclohexyl(ethyl)amino]acetyl]amino]benzoate (CID 2338850) is methyl 4-[[2-[cyclohexyl(ethyl)amino]acetyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[2-[cyclohexyl(ethyl)amino]acetyl]amino]benzoate?
The canonical SMILES for methyl 4-[[2-[cyclohexyl(ethyl)amino]acetyl]amino]benzoate is CCN(CC(=O)Nc1ccc(C(=O)OC)cc1)C1CCCCC1.
What is the InChIKey of methyl 4-[[2-[cyclohexyl(ethyl)amino]acetyl]amino]benzoate?
The InChIKey is VJSFVTRKIBMYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-3-20(16-7-5-4-6-8-16)13-17(21)19-15-11-9-14(10-12-15)18(22)23-2/h9-12,16H,3-8,13H2,1-2H3,(H,19,21).
What are the key properties of methyl 4-[[2-[cyclohexyl(ethyl)amino]acetyl]amino]benzoate?
methyl 4-[[2-[cyclohexyl(ethyl)amino]acetyl]amino]benzoate has a molecular weight of 318.42 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-[cyclohexyl(ethyl)amino]acetyl]amino]benzoate is sourced from PubChem (CID 2338850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).