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

C17H24N2O3 — CID 40706173

IUPACmethyl 2-[[2-[cyclohexyl(methyl)amino]acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)CN(C)C1CCCCC1
InChIInChI=1S/C17H24N2O3/c1-19(13-8-4-3-5-9-13)12-16(20)18-15-11-7-6-10-14(15)17(21)22-2/h6-7,10-11,13H,3-5,8-9,12H2,1-2H3,(H,18,20)
InChIKeyUCTKVSMCYWCQID-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.68
Rot. Bonds5

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

methyl 2-[[2-[cyclohexyl(methyl)amino]acetyl]amino]benzoate (PubChem CID 40706173) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is methyl 2-[[2-[cyclohexyl(methyl)amino]acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-[cyclohexyl(methyl)amino]acetyl]amino]benzoate
PubChem CID40706173
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Namemethyl 2-[[2-[cyclohexyl(methyl)amino]acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)CN(C)C1CCCCC1
InChIInChI=1S/C17H24N2O3/c1-19(13-8-4-3-5-9-13)12-16(20)18-15-11-7-6-10-14(15)17(21)22-2/h6-7,10-11,13H,3-5,8-9,12H2,1-2H3,(H,18,20)
InChIKeyUCTKVSMCYWCQID-UHFFFAOYSA-N
XLogP2.68
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cycloheptyl(methyl)amino]-N-(2-methylphenyl)acetamide
CID 16577693
N-(2-acetylphenyl)-2-[cyclopropyl(methyl)amino]acetamide
CID 30891872
methyl 2-[[2-[(4-bromophenyl)sulfonyl-cyclohexylamino]acetyl]amino]benzoate
CID 1001605
methyl 2-[[3-(cyclohexylamino)-3-oxopropanoyl]amino]benzoate
CID 108942633
methyl 2-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]benzoate
CID 78820382
2-[cyclohexyl(methyl)amino]-N-(2-phenoxyphenyl)acetamide
CID 46800677
N-(2-cyanophenyl)-2-[cycloheptyl(methyl)amino]acetamide
CID 16577691
methyl 2-[[2-(2-cyclopentylacetyl)oxyacetyl]amino]benzoate
CID 2617358
methyl 3-[[2-[cyclohexyl(methyl)amino]acetyl]amino]-4-methylbenzoate
CID 51170598
2-[cycloheptyl(methyl)amino]-N-phenylacetamide
CID 16577724
N-(2-acetylphenyl)-2-[methyl(piperidin-4-yl)amino]acetamide
CID 43607630
methyl 2-[[cyclopentyl(prop-2-enyl)carbamoyl]amino]benzoate
CID 23991843

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[cyclohexyl(methyl)amino]acetyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-[cyclohexyl(methyl)amino]acetyl]amino]benzoate (CID 40706173) is methyl 2-[[2-[cyclohexyl(methyl)amino]acetyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-[cyclohexyl(methyl)amino]acetyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-[cyclohexyl(methyl)amino]acetyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)CN(C)C1CCCCC1.
What is the InChIKey of methyl 2-[[2-[cyclohexyl(methyl)amino]acetyl]amino]benzoate?
The InChIKey is UCTKVSMCYWCQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-19(13-8-4-3-5-9-13)12-16(20)18-15-11-7-6-10-14(15)17(21)22-2/h6-7,10-11,13H,3-5,8-9,12H2,1-2H3,(H,18,20).
What are the key properties of methyl 2-[[2-[cyclohexyl(methyl)amino]acetyl]amino]benzoate?
methyl 2-[[2-[cyclohexyl(methyl)amino]acetyl]amino]benzoate has a molecular weight of 304.39 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[cyclohexyl(methyl)amino]acetyl]amino]benzoate is sourced from PubChem (CID 40706173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).