methyl 3-(ethoxycarbonylamino)-4-methylbenzoate

C12H15NO4 — CID 3309818

IUPACmethyl 3-(ethoxycarbonylamino)-4-methylbenzoate
SMILESCCOC(=O)Nc1cc(C(=O)OC)ccc1C
InChIInChI=1S/C12H15NO4/c1-4-17-12(15)13-10-7-9(11(14)16-3)6-5-8(10)2/h5-7H,4H2,1-3H3,(H,13,15)
InChIKeyZNANHQAORSEWTJ-UHFFFAOYSA-N
MW237.25 g/mol
LogP2.35
Rot. Bonds3

About methyl 3-(ethoxycarbonylamino)-4-methylbenzoate

methyl 3-(ethoxycarbonylamino)-4-methylbenzoate (PubChem CID 3309818) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is methyl 3-(ethoxycarbonylamino)-4-methylbenzoate.

Molecular Properties

Compound Namemethyl 3-(ethoxycarbonylamino)-4-methylbenzoate
PubChem CID3309818
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Namemethyl 3-(ethoxycarbonylamino)-4-methylbenzoate
SMILESCCOC(=O)Nc1cc(C(=O)OC)ccc1C
InChIInChI=1S/C12H15NO4/c1-4-17-12(15)13-10-7-9(11(14)16-3)6-5-8(10)2/h5-7H,4H2,1-3H3,(H,13,15)
InChIKeyZNANHQAORSEWTJ-UHFFFAOYSA-N
XLogP2.35
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(methoxycarbonylamino)-4-methylbenzoate
CID 17172948
methyl 3-(ethoxycarbonylamino)-4-hydroxybenzoate
CID 139715315
ethyl N-(5-ethyl-2-methylphenyl)carbamate
CID 110604053
ethyl N-[5-(N'-hydroxycarbamimidoyl)-2-methylphenyl]carbamate
CID 76935517
methyl 3-[[2-[[2-(ethoxycarbonylamino)-2-oxoethyl]-ethylamino]acetyl]amino]-4-methylbenzoate
CID 8799678
methyl 4-methyl-3-(pentanoylamino)benzoate
CID 8920189
methyl 3-[(4-carbamoylbenzoyl)amino]-4-methylbenzoate
CID 30846823
methyl 3-[3-(ethylamino)propanoylamino]-4-methylbenzoate
CID 62833574
methyl 3-(2-aminopentanoylamino)-4-methylbenzoate;hydrochloride
CID 119265257
methyl 3-[[2-(4-ethoxyphenyl)acetyl]amino]-4-methylbenzoate
CID 17191288
methyl 3-(ethylsulfonylamino)-4-methylbenzoate
CID 6466185
methyl 3-(4-hydroxybutanoylamino)-4-methylbenzoate
CID 79204686

Frequently Asked Questions

What is the IUPAC name of methyl 3-(ethoxycarbonylamino)-4-methylbenzoate?
The IUPAC name of methyl 3-(ethoxycarbonylamino)-4-methylbenzoate (CID 3309818) is methyl 3-(ethoxycarbonylamino)-4-methylbenzoate.
What is the SMILES notation for methyl 3-(ethoxycarbonylamino)-4-methylbenzoate?
The canonical SMILES for methyl 3-(ethoxycarbonylamino)-4-methylbenzoate is CCOC(=O)Nc1cc(C(=O)OC)ccc1C.
What is the InChIKey of methyl 3-(ethoxycarbonylamino)-4-methylbenzoate?
The InChIKey is ZNANHQAORSEWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-4-17-12(15)13-10-7-9(11(14)16-3)6-5-8(10)2/h5-7H,4H2,1-3H3,(H,13,15).
What are the key properties of methyl 3-(ethoxycarbonylamino)-4-methylbenzoate?
methyl 3-(ethoxycarbonylamino)-4-methylbenzoate has a molecular weight of 237.25 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(ethoxycarbonylamino)-4-methylbenzoate is sourced from PubChem (CID 3309818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).