methyl 4-[[3-(ethylcarbamoyl)phenyl]carbamoyl]benzoate

C18H18N2O4 — CID 17230817

IUPACmethyl 4-[[3-(ethylcarbamoyl)phenyl]carbamoyl]benzoate
SMILESCCNC(=O)c1cccc(NC(=O)c2ccc(C(=O)OC)cc2)c1
InChIInChI=1S/C18H18N2O4/c1-3-19-16(21)14-5-4-6-15(11-14)20-17(22)12-7-9-13(10-8-12)18(23)24-2/h4-11H,3H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyYPZMVHPCQMIVAF-UHFFFAOYSA-N
MW326.35 g/mol
LogP2.48
Rot. Bonds5

About methyl 4-[[3-(ethylcarbamoyl)phenyl]carbamoyl]benzoate

methyl 4-[[3-(ethylcarbamoyl)phenyl]carbamoyl]benzoate (PubChem CID 17230817) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is methyl 4-[[3-(ethylcarbamoyl)phenyl]carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[3-(ethylcarbamoyl)phenyl]carbamoyl]benzoate
PubChem CID17230817
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Namemethyl 4-[[3-(ethylcarbamoyl)phenyl]carbamoyl]benzoate
SMILESCCNC(=O)c1cccc(NC(=O)c2ccc(C(=O)OC)cc2)c1
InChIInChI=1S/C18H18N2O4/c1-3-19-16(21)14-5-4-6-15(11-14)20-17(22)12-7-9-13(10-8-12)18(23)24-2/h4-11H,3H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyYPZMVHPCQMIVAF-UHFFFAOYSA-N
XLogP2.48
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[3-(benzylcarbamoyl)phenyl]carbamoyl]benzoate
CID 28638986
3-[(4-methoxycarbonylbenzoyl)amino]benzoic acid
CID 45425987
methyl 4-[(3-ethylphenyl)carbamoyl]benzoate
CID 7935129
3-acetamido-N-ethylbenzamide
CID 17230670
methyl 3-[[3-(2-methoxyethylcarbamoyl)benzoyl]amino]benzoate
CID 109052619
methyl 3-[[4-[2-(dimethylamino)ethylcarbamoyl]benzoyl]amino]benzoate
CID 109045824
3,5-dichloro-N-[3-(ethylcarbamoyl)phenyl]-4-methoxybenzamide
CID 51217682
methyl 3-[2-[3-(ethylcarbamoyl)anilino]-2-oxoethoxy]-4-methylbenzoate
CID 55561380
methyl 4-[[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]-methylsulfonylamino]benzoate
CID 56539827
N-[3-(ethylcarbamoyl)phenyl]-2H-benzotriazole-5-carboxamide
CID 167951994
N-[4-(ethylcarbamoyl)phenyl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 55814774
methyl 3-[3-(ethylcarbamoyl)phenyl]benzoate
CID 70972222

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[3-(ethylcarbamoyl)phenyl]carbamoyl]benzoate?
The IUPAC name of methyl 4-[[3-(ethylcarbamoyl)phenyl]carbamoyl]benzoate (CID 17230817) is methyl 4-[[3-(ethylcarbamoyl)phenyl]carbamoyl]benzoate.
What is the SMILES notation for methyl 4-[[3-(ethylcarbamoyl)phenyl]carbamoyl]benzoate?
The canonical SMILES for methyl 4-[[3-(ethylcarbamoyl)phenyl]carbamoyl]benzoate is CCNC(=O)c1cccc(NC(=O)c2ccc(C(=O)OC)cc2)c1.
What is the InChIKey of methyl 4-[[3-(ethylcarbamoyl)phenyl]carbamoyl]benzoate?
The InChIKey is YPZMVHPCQMIVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-3-19-16(21)14-5-4-6-15(11-14)20-17(22)12-7-9-13(10-8-12)18(23)24-2/h4-11H,3H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of methyl 4-[[3-(ethylcarbamoyl)phenyl]carbamoyl]benzoate?
methyl 4-[[3-(ethylcarbamoyl)phenyl]carbamoyl]benzoate has a molecular weight of 326.35 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[3-(ethylcarbamoyl)phenyl]carbamoyl]benzoate is sourced from PubChem (CID 17230817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).