(2-methylphenyl)methyl 4-(cyclopropanecarbonylamino)benzoate

C19H19NO3 — CID 46669660

IUPAC(2-methylphenyl)methyl 4-(cyclopropanecarbonylamino)benzoate
SMILESCc1ccccc1COC(=O)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C19H19NO3/c1-13-4-2-3-5-16(13)12-23-19(22)15-8-10-17(11-9-15)20-18(21)14-6-7-14/h2-5,8-11,14H,6-7,12H2,1H3,(H,20,21)
InChIKeyDFCYSBFBOVVYFC-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.70
Rot. Bonds5

About (2-methylphenyl)methyl 4-(cyclopropanecarbonylamino)benzoate

(2-methylphenyl)methyl 4-(cyclopropanecarbonylamino)benzoate (PubChem CID 46669660) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is (2-methylphenyl)methyl 4-(cyclopropanecarbonylamino)benzoate.

Molecular Properties

Compound Name(2-methylphenyl)methyl 4-(cyclopropanecarbonylamino)benzoate
PubChem CID46669660
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name(2-methylphenyl)methyl 4-(cyclopropanecarbonylamino)benzoate
SMILESCc1ccccc1COC(=O)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C19H19NO3/c1-13-4-2-3-5-16(13)12-23-19(22)15-8-10-17(11-9-15)20-18(21)14-6-7-14/h2-5,8-11,14H,6-7,12H2,1H3,(H,20,21)
InChIKeyDFCYSBFBOVVYFC-UHFFFAOYSA-N
XLogP3.70
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-fluoro-2-methoxyphenyl)methyl 4-(cyclopropanecarbonylamino)benzoate
CID 31729487
methyl 4-[[4-[(4-methylphenyl)carbamoyl]cyclohexanecarbonyl]amino]benzoate
CID 109150498
ethyl 4-[[4-(diethylcarbamoyl)cyclohexanecarbonyl]amino]benzoate
CID 109149492
ethyl 4-[[4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]cyclohexanecarbonyl]amino]benzoate
CID 109151140
ethyl 4-[4-(cyclohexanecarbonylamino)anilino]benzoate
CID 112989355
2-butoxyethyl 4-(cyclopropanecarbonylamino)benzoate
CID 52709382
2-ethylsulfanylethyl 4-(cyclopropanecarbonylamino)benzoate
CID 47362257
[2-oxo-2-(1-phenylethylamino)ethyl] 4-(cyclopropanecarbonylamino)benzoate
CID 18085650
[2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 4-(cyclopropanecarbonylamino)benzoate
CID 42984799
[2-(4-methylanilino)-2-oxo-1-phenylethyl] 4-(cyclopropanecarbonylamino)benzoate
CID 55320838
2-(2-fluorophenoxy)ethyl 4-(cyclopropanecarbonylamino)benzoate
CID 42986213
ethyl 4-[[2-[4-(cyclopropanecarbonylamino)phenyl]sulfanylacetyl]amino]benzoate
CID 19630791

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl)methyl 4-(cyclopropanecarbonylamino)benzoate?
The IUPAC name of (2-methylphenyl)methyl 4-(cyclopropanecarbonylamino)benzoate (CID 46669660) is (2-methylphenyl)methyl 4-(cyclopropanecarbonylamino)benzoate.
What is the SMILES notation for (2-methylphenyl)methyl 4-(cyclopropanecarbonylamino)benzoate?
The canonical SMILES for (2-methylphenyl)methyl 4-(cyclopropanecarbonylamino)benzoate is Cc1ccccc1COC(=O)c1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of (2-methylphenyl)methyl 4-(cyclopropanecarbonylamino)benzoate?
The InChIKey is DFCYSBFBOVVYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c1-13-4-2-3-5-16(13)12-23-19(22)15-8-10-17(11-9-15)20-18(21)14-6-7-14/h2-5,8-11,14H,6-7,12H2,1H3,(H,20,21).
What are the key properties of (2-methylphenyl)methyl 4-(cyclopropanecarbonylamino)benzoate?
(2-methylphenyl)methyl 4-(cyclopropanecarbonylamino)benzoate has a molecular weight of 309.37 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl)methyl 4-(cyclopropanecarbonylamino)benzoate is sourced from PubChem (CID 46669660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).