(4-carbamoylphenyl)methyl 2-(2-methoxy-5-methylphenyl)acetate

C18H19NO4 — CID 27205283

IUPAC(4-carbamoylphenyl)methyl 2-(2-methoxy-5-methylphenyl)acetate
SMILESCOc1ccc(C)cc1CC(=O)OCc1ccc(C(N)=O)cc1
InChIInChI=1S/C18H19NO4/c1-12-3-8-16(22-2)15(9-12)10-17(20)23-11-13-4-6-14(7-5-13)18(19)21/h3-9H,10-11H2,1-2H3,(H2,19,21)
InChIKeySSBCSMRFBZEBNT-UHFFFAOYSA-N
MW313.35 g/mol
LogP2.39
Rot. Bonds6

About (4-carbamoylphenyl)methyl 2-(2-methoxy-5-methylphenyl)acetate

(4-carbamoylphenyl)methyl 2-(2-methoxy-5-methylphenyl)acetate (PubChem CID 27205283) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is (4-carbamoylphenyl)methyl 2-(2-methoxy-5-methylphenyl)acetate.

Molecular Properties

Compound Name(4-carbamoylphenyl)methyl 2-(2-methoxy-5-methylphenyl)acetate
PubChem CID27205283
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name(4-carbamoylphenyl)methyl 2-(2-methoxy-5-methylphenyl)acetate
SMILESCOc1ccc(C)cc1CC(=O)OCc1ccc(C(N)=O)cc1
InChIInChI=1S/C18H19NO4/c1-12-3-8-16(22-2)15(9-12)10-17(20)23-11-13-4-6-14(7-5-13)18(19)21/h3-9H,10-11H2,1-2H3,(H2,19,21)
InChIKeySSBCSMRFBZEBNT-UHFFFAOYSA-N
XLogP2.39
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-methoxy-5-methylphenyl)methylamino]benzamide
CID 43408573
1-[4-(aminomethyl)phenyl]-2-(2-methoxy-5-methylphenyl)ethanone
CID 116548317
1-[4-(2-aminoethyl)phenyl]-2-(2-methoxy-5-methylphenyl)ethanone
CID 116577757
[4-(phenylcarbamoyl)phenyl]methyl 2-(5-chloro-2-methoxyphenyl)acetate
CID 8616393
4-[(5-amino-2-methoxyphenoxy)methyl]benzamide
CID 24711094
(2-methoxy-5-methylphenyl)methyl 4-aminobenzoate
CID 60730788
(3,4-dimethoxyphenyl)methyl 2-[2-[2-[2-[(3,4-dimethoxyphenyl)methoxy]-2-oxoethyl]phenyl]phenyl]acetate
CID 24764052
methyl 4-[[[2-(2-methoxy-5-methylphenyl)acetyl]amino]methyl]benzoate
CID 18106700
(4-carbamoylphenyl)methyl 2-methoxy-5-sulfamoylbenzoate
CID 26961268
1-(2-methoxy-5-methylphenyl)-3-(4-methoxyphenyl)propan-2-one
CID 62159649
1-(3-amino-4-methylphenyl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 116551055
3-amino-4-[(2-methoxy-4-methylphenoxy)methyl]benzamide
CID 43376560

Frequently Asked Questions

What is the IUPAC name of (4-carbamoylphenyl)methyl 2-(2-methoxy-5-methylphenyl)acetate?
The IUPAC name of (4-carbamoylphenyl)methyl 2-(2-methoxy-5-methylphenyl)acetate (CID 27205283) is (4-carbamoylphenyl)methyl 2-(2-methoxy-5-methylphenyl)acetate.
What is the SMILES notation for (4-carbamoylphenyl)methyl 2-(2-methoxy-5-methylphenyl)acetate?
The canonical SMILES for (4-carbamoylphenyl)methyl 2-(2-methoxy-5-methylphenyl)acetate is COc1ccc(C)cc1CC(=O)OCc1ccc(C(N)=O)cc1.
What is the InChIKey of (4-carbamoylphenyl)methyl 2-(2-methoxy-5-methylphenyl)acetate?
The InChIKey is SSBCSMRFBZEBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-12-3-8-16(22-2)15(9-12)10-17(20)23-11-13-4-6-14(7-5-13)18(19)21/h3-9H,10-11H2,1-2H3,(H2,19,21).
What are the key properties of (4-carbamoylphenyl)methyl 2-(2-methoxy-5-methylphenyl)acetate?
(4-carbamoylphenyl)methyl 2-(2-methoxy-5-methylphenyl)acetate has a molecular weight of 313.35 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-carbamoylphenyl)methyl 2-(2-methoxy-5-methylphenyl)acetate is sourced from PubChem (CID 27205283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).