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

C17H24N2O3 — CID 78820382

IUPACmethyl 2-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NCC(=O)N(C)C1CCCCC1
InChIInChI=1S/C17H24N2O3/c1-19(13-8-4-3-5-9-13)16(20)12-18-15-11-7-6-10-14(15)17(21)22-2/h6-7,10-11,13,18H,3-5,8-9,12H2,1-2H3
InChIKeyZXZWKCHKCJXUHA-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.68
Rot. Bonds5

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

methyl 2-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]benzoate (PubChem CID 78820382) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is methyl 2-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]benzoate
PubChem CID78820382
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Namemethyl 2-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NCC(=O)N(C)C1CCCCC1
InChIInChI=1S/C17H24N2O3/c1-19(13-8-4-3-5-9-13)16(20)12-18-15-11-7-6-10-14(15)17(21)22-2/h6-7,10-11,13,18H,3-5,8-9,12H2,1-2H3
InChIKeyZXZWKCHKCJXUHA-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

N-cyclohexyl-N-methyl-2-(2-propan-2-ylanilino)acetamide
CID 54823199
methyl 2-(cyclohexylmethylamino)benzoate
CID 43087805
methyl 2-[[2-[cyclohexyl(methyl)amino]acetyl]amino]benzoate
CID 40706173
methyl 2-(cyclopentylmethylamino)benzoate
CID 55030315
N-cyclopropyl-2-(2-iodoanilino)-N-methylacetamide
CID 61488566
N-[3-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]-2-methylphenyl]cyclopropanecarboxamide
CID 54846395
2-[[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]amino]-N-methylbenzamide
CID 55435805
methyl 2-[[3-[(1,1-dioxothiolan-3-yl)-methylamino]-3-oxopropyl]amino]benzoate
CID 109026668
methyl 2-[[2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl]amino]benzoate
CID 109003544
N-cyclohexyl-N-ethyl-2-(2-methoxyanilino)acetamide
CID 78782325
N-cyclohexyl-N-methyl-2-(1-phenylethylamino)acetamide
CID 54815225
methyl 2-amino-3-[[2-(dimethylamino)-2-oxoethyl]amino]benzoate
CID 113332567

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]benzoate (CID 78820382) is methyl 2-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]benzoate is COC(=O)c1ccccc1NCC(=O)N(C)C1CCCCC1.
What is the InChIKey of methyl 2-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]benzoate?
The InChIKey is ZXZWKCHKCJXUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-19(13-8-4-3-5-9-13)16(20)12-18-15-11-7-6-10-14(15)17(21)22-2/h6-7,10-11,13,18H,3-5,8-9,12H2,1-2H3.
What are the key properties of methyl 2-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]benzoate?
methyl 2-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]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]-2-oxoethyl]amino]benzoate is sourced from PubChem (CID 78820382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).