ethyl 3-(cyclohexylcarbamoylamino)-4-methylbenzoate

C17H24N2O3 — CID 100744542

IUPACethyl 3-(cyclohexylcarbamoylamino)-4-methylbenzoate
SMILESCCOC(=O)c1ccc(C)c(NC(=O)NC2CCCCC2)c1
InChIInChI=1S/C17H24N2O3/c1-3-22-16(20)13-10-9-12(2)15(11-13)19-17(21)18-14-7-5-4-6-8-14/h9-11,14H,3-8H2,1-2H3,(H2,18,19,21)
InChIKeyDSPWLLKFCKMGQP-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.63
Rot. Bonds4

About ethyl 3-(cyclohexylcarbamoylamino)-4-methylbenzoate

ethyl 3-(cyclohexylcarbamoylamino)-4-methylbenzoate (PubChem CID 100744542) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is ethyl 3-(cyclohexylcarbamoylamino)-4-methylbenzoate.

Molecular Properties

Compound Nameethyl 3-(cyclohexylcarbamoylamino)-4-methylbenzoate
PubChem CID100744542
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Nameethyl 3-(cyclohexylcarbamoylamino)-4-methylbenzoate
SMILESCCOC(=O)c1ccc(C)c(NC(=O)NC2CCCCC2)c1
InChIInChI=1S/C17H24N2O3/c1-3-22-16(20)13-10-9-12(2)15(11-13)19-17(21)18-14-7-5-4-6-8-14/h9-11,14H,3-8H2,1-2H3,(H2,18,19,21)
InChIKeyDSPWLLKFCKMGQP-UHFFFAOYSA-N
XLogP3.63
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-bromo-4-(cyclopropylcarbamoylamino)benzoate
CID 62700620
1-cyclobutyl-3-(2-methyl-5-prop-1-en-2-ylphenyl)urea
CID 143698611
ethyl 2-(cycloheptylcarbamoylamino)benzoate
CID 108990696
ethyl 3-(cyclobutylcarbamoylamino)benzoate
CID 3737149
ethyl 2-(cyclopentylcarbamoylamino)benzoate
CID 110755189
ethyl 4-(cyclododecylcarbamothioylamino)benzoate
CID 19652499
N-cyclopentyl-4-(cyclopropylcarbamoylamino)-3-methylbenzamide
CID 48645772
ethyl 3-bromo-4-(cyclooctylamino)benzoate
CID 43684308
ethyl 4-[4-(cyclopropylcarbamoylamino)anilino]benzoate
CID 112989391
ethyl 3-bromo-4-(cyclopentylamino)benzoate
CID 43684306
ethyl 3-amino-4-(cyclopentylamino)benzoate;ethyl 3-amino-4-(cyclopropylamino)benzoate
CID 160671023
4-methyl-3-[(3-methylcyclohexyl)carbamoylamino]benzoic acid
CID 61198764

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(cyclohexylcarbamoylamino)-4-methylbenzoate?
The IUPAC name of ethyl 3-(cyclohexylcarbamoylamino)-4-methylbenzoate (CID 100744542) is ethyl 3-(cyclohexylcarbamoylamino)-4-methylbenzoate.
What is the SMILES notation for ethyl 3-(cyclohexylcarbamoylamino)-4-methylbenzoate?
The canonical SMILES for ethyl 3-(cyclohexylcarbamoylamino)-4-methylbenzoate is CCOC(=O)c1ccc(C)c(NC(=O)NC2CCCCC2)c1.
What is the InChIKey of ethyl 3-(cyclohexylcarbamoylamino)-4-methylbenzoate?
The InChIKey is DSPWLLKFCKMGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-3-22-16(20)13-10-9-12(2)15(11-13)19-17(21)18-14-7-5-4-6-8-14/h9-11,14H,3-8H2,1-2H3,(H2,18,19,21).
What are the key properties of ethyl 3-(cyclohexylcarbamoylamino)-4-methylbenzoate?
ethyl 3-(cyclohexylcarbamoylamino)-4-methylbenzoate has a molecular weight of 304.39 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(cyclohexylcarbamoylamino)-4-methylbenzoate is sourced from PubChem (CID 100744542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).