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

C15H20N2O3 — CID 64822923

IUPACmethyl 2-[(2-aminocyclohexanecarbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)C1CCCCC1N
InChIInChI=1S/C15H20N2O3/c1-20-15(19)11-7-3-5-9-13(11)17-14(18)10-6-2-4-8-12(10)16/h3,5,7,9-10,12H,2,4,6,8,16H2,1H3,(H,17,18)
InChIKeyHTUHEJALZYABTM-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.93
Rot. Bonds3

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

methyl 2-[(2-aminocyclohexanecarbonyl)amino]benzoate (PubChem CID 64822923) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is methyl 2-[(2-aminocyclohexanecarbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(2-aminocyclohexanecarbonyl)amino]benzoate
PubChem CID64822923
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Namemethyl 2-[(2-aminocyclohexanecarbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)C1CCCCC1N
InChIInChI=1S/C15H20N2O3/c1-20-15(19)11-7-3-5-9-13(11)17-14(18)10-6-2-4-8-12(10)16/h3,5,7,9-10,12H,2,4,6,8,16H2,1H3,(H,17,18)
InChIKeyHTUHEJALZYABTM-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

2-amino-N-(2-methylphenyl)cyclopentane-1-carboxamide
CID 64818336
2-amino-N-(2-hydroxyphenyl)cyclopentane-1-carboxamide
CID 64852235
2-amino-N-(2-ethoxyphenyl)cyclohexane-1-carboxamide
CID 64817550
2-amino-N-(2-iodophenyl)cyclopentane-1-carboxamide
CID 64824088
2-amino-N-[2-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
CID 64817726
2-amino-N-(2-ethylsulfanylphenyl)cyclohexane-1-carboxamide
CID 64823573
methyl 3-[(2-aminocyclohexanecarbonyl)amino]benzoate
CID 64823451
trans-(1R,2R)-2-amino-N-phenylcyclohexane-1-carboxamide
CID 10889384
2-amino-N-[2-(difluoromethylsulfanyl)phenyl]cyclohexane-1-carboxamide
CID 64817568
2-[(2-aminocyclohexanecarbonyl)amino]-5-methylbenzoic acid
CID 64823038
methyl 2-[[2-[(4-methoxycarbonylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109143863
methyl 4-[(2-aminocyclopentanecarbonyl)amino]benzoate;hydrochloride
CID 119671361

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-aminocyclohexanecarbonyl)amino]benzoate?
The IUPAC name of methyl 2-[(2-aminocyclohexanecarbonyl)amino]benzoate (CID 64822923) is methyl 2-[(2-aminocyclohexanecarbonyl)amino]benzoate.
What is the SMILES notation for methyl 2-[(2-aminocyclohexanecarbonyl)amino]benzoate?
The canonical SMILES for methyl 2-[(2-aminocyclohexanecarbonyl)amino]benzoate is COC(=O)c1ccccc1NC(=O)C1CCCCC1N.
What is the InChIKey of methyl 2-[(2-aminocyclohexanecarbonyl)amino]benzoate?
The InChIKey is HTUHEJALZYABTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-20-15(19)11-7-3-5-9-13(11)17-14(18)10-6-2-4-8-12(10)16/h3,5,7,9-10,12H,2,4,6,8,16H2,1H3,(H,17,18).
What are the key properties of methyl 2-[(2-aminocyclohexanecarbonyl)amino]benzoate?
methyl 2-[(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 2-[(2-aminocyclohexanecarbonyl)amino]benzoate is sourced from PubChem (CID 64822923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).