methyl 3-[(2-aminocyclohexanecarbonyl)amino]benzoate

C15H20N2O3 — CID 64823451

IUPACmethyl 3-[(2-aminocyclohexanecarbonyl)amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)C2CCCCC2N)c1
InChIInChI=1S/C15H20N2O3/c1-20-15(19)10-5-4-6-11(9-10)17-14(18)12-7-2-3-8-13(12)16/h4-6,9,12-13H,2-3,7-8,16H2,1H3,(H,17,18)
InChIKeyDKJYFQOWNNOKOK-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.93
Rot. Bonds3

About methyl 3-[(2-aminocyclohexanecarbonyl)amino]benzoate

methyl 3-[(2-aminocyclohexanecarbonyl)amino]benzoate (PubChem CID 64823451) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is methyl 3-[(2-aminocyclohexanecarbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[(2-aminocyclohexanecarbonyl)amino]benzoate
PubChem CID64823451
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Namemethyl 3-[(2-aminocyclohexanecarbonyl)amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)C2CCCCC2N)c1
InChIInChI=1S/C15H20N2O3/c1-20-15(19)10-5-4-6-11(9-10)17-14(18)12-7-2-3-8-13(12)16/h4-6,9,12-13H,2-3,7-8,16H2,1H3,(H,17,18)
InChIKeyDKJYFQOWNNOKOK-UHFFFAOYSA-N
XLogP1.93
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[(2-aminocyclopentanecarbonyl)amino]benzoate;hydrochloride
CID 119671361
trans-(1R,2R)-2-amino-N-phenylcyclohexane-1-carboxamide
CID 10889384
2-amino-N-[3-(carbamoylamino)phenyl]cyclopentane-1-carboxamide
CID 64822966
2-amino-N-[3-(dimethylamino)phenyl]cycloheptane-1-carboxamide
CID 115377162
2-amino-N-(3-propoxyphenyl)cyclohexane-1-carboxamide
CID 64822364
2-amino-N-[3-(2-methylpropoxy)phenyl]cyclohexane-1-carboxamide
CID 64824744
2-amino-N-[3-(2-methoxyethoxy)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119723449
methyl 3-[[(2R)-1-carbamoylpiperidine-2-carbonyl]amino]benzoate
CID 95974055
2-amino-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 64816977
2-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]cyclohexane-1-carboxamide
CID 64824522
methyl 2-[(2-aminocyclohexanecarbonyl)amino]benzoate
CID 64822923
2-amino-N-(3-fluoro-4-methoxyphenyl)cyclohexane-1-carboxamide
CID 64822720

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-aminocyclohexanecarbonyl)amino]benzoate?
The IUPAC name of methyl 3-[(2-aminocyclohexanecarbonyl)amino]benzoate (CID 64823451) is methyl 3-[(2-aminocyclohexanecarbonyl)amino]benzoate.
What is the SMILES notation for methyl 3-[(2-aminocyclohexanecarbonyl)amino]benzoate?
The canonical SMILES for methyl 3-[(2-aminocyclohexanecarbonyl)amino]benzoate is COC(=O)c1cccc(NC(=O)C2CCCCC2N)c1.
What is the InChIKey of methyl 3-[(2-aminocyclohexanecarbonyl)amino]benzoate?
The InChIKey is DKJYFQOWNNOKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-20-15(19)10-5-4-6-11(9-10)17-14(18)12-7-2-3-8-13(12)16/h4-6,9,12-13H,2-3,7-8,16H2,1H3,(H,17,18).
What are the key properties of methyl 3-[(2-aminocyclohexanecarbonyl)amino]benzoate?
methyl 3-[(2-aminocyclohexanecarbonyl)amino]benzoate has a molecular weight of 276.34 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-aminocyclohexanecarbonyl)amino]benzoate is sourced from PubChem (CID 64823451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).