methyl 4-[[ethyl-[4-(2-methylphenoxy)benzoyl]amino]methyl]benzoate

C25H25NO4 — CID 125468730

IUPACmethyl 4-[[ethyl-[4-(2-methylphenoxy)benzoyl]amino]methyl]benzoate
SMILESCCN(Cc1ccc(C(=O)OC)cc1)C(=O)c1ccc(Oc2ccccc2C)cc1
InChIInChI=1S/C25H25NO4/c1-4-26(17-19-9-11-21(12-10-19)25(28)29-3)24(27)20-13-15-22(16-14-20)30-23-8-6-5-7-18(23)2/h5-16H,4,17H2,1-3H3
InChIKeyCIKIJFARWKFTCL-UHFFFAOYSA-N
MW403.48 g/mol
LogP5.24
Rot. Bonds7

About methyl 4-[[ethyl-[4-(2-methylphenoxy)benzoyl]amino]methyl]benzoate

methyl 4-[[ethyl-[4-(2-methylphenoxy)benzoyl]amino]methyl]benzoate (PubChem CID 125468730) has the molecular formula C25H25NO4 and a molecular weight of 403.48 g/mol. Its IUPAC name is methyl 4-[[ethyl-[4-(2-methylphenoxy)benzoyl]amino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[ethyl-[4-(2-methylphenoxy)benzoyl]amino]methyl]benzoate
PubChem CID125468730
Molecular FormulaC25H25NO4
Molecular Weight403.48 g/mol
Exact Mass403.18
IUPAC Namemethyl 4-[[ethyl-[4-(2-methylphenoxy)benzoyl]amino]methyl]benzoate
SMILESCCN(Cc1ccc(C(=O)OC)cc1)C(=O)c1ccc(Oc2ccccc2C)cc1
InChIInChI=1S/C25H25NO4/c1-4-26(17-19-9-11-21(12-10-19)25(28)29-3)24(27)20-13-15-22(16-14-20)30-23-8-6-5-7-18(23)2/h5-16H,4,17H2,1-3H3
InChIKeyCIKIJFARWKFTCL-UHFFFAOYSA-N
XLogP5.24
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.48
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

dimethyl 4-[benzyl-[(4-phenoxyphenyl)methyl]carbamoyl]benzene-1,3-dicarboxylate
CID 67767744
methyl 3-[benzyl-[(4-phenoxyphenyl)methyl]carbamoyl]-5-(hydroxymethyl)benzoate
CID 67768058
methyl 4-[[methyl-[(2-methylphenyl)methyl]amino]methyl]benzoate
CID 60646503
methyl 4-[4-(4-methoxycarbonylphenoxy)-3-methylphenoxy]benzoate
CID 161428030
methyl 4-[[benzoyl-[2-[4-(3-chlorophenoxy)phenyl]ethyl]amino]methyl]benzoate
CID 121482237
N-ethyl-N-[(2-methoxyphenyl)methyl]-4-methylbenzamide
CID 123310577
4-(aminomethyl)-N-ethyl-N-[(2-methylphenyl)methyl]benzamide
CID 43587256
4-[[ethyl-[1-(2-phenoxyphenyl)ethylcarbamoyl]amino]methyl]-N,N-dimethylbenzamide
CID 86887696
1-ethyl-1-[(4-methoxyphenyl)methyl]-3-(2-phenylethyl)urea
CID 71889703
methyl 4-[(N-ethyl-2-phenylmethoxyanilino)methyl]benzoate
CID 22675546
methyl 4-methyl-3-phenoxybenzoate
CID 15210812
[4-(diethylcarbamoyl)phenyl] benzoate
CID 139836095

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[ethyl-[4-(2-methylphenoxy)benzoyl]amino]methyl]benzoate?
The IUPAC name of methyl 4-[[ethyl-[4-(2-methylphenoxy)benzoyl]amino]methyl]benzoate (CID 125468730) is methyl 4-[[ethyl-[4-(2-methylphenoxy)benzoyl]amino]methyl]benzoate.
What is the SMILES notation for methyl 4-[[ethyl-[4-(2-methylphenoxy)benzoyl]amino]methyl]benzoate?
The canonical SMILES for methyl 4-[[ethyl-[4-(2-methylphenoxy)benzoyl]amino]methyl]benzoate is CCN(Cc1ccc(C(=O)OC)cc1)C(=O)c1ccc(Oc2ccccc2C)cc1.
What is the InChIKey of methyl 4-[[ethyl-[4-(2-methylphenoxy)benzoyl]amino]methyl]benzoate?
The InChIKey is CIKIJFARWKFTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO4/c1-4-26(17-19-9-11-21(12-10-19)25(28)29-3)24(27)20-13-15-22(16-14-20)30-23-8-6-5-7-18(23)2/h5-16H,4,17H2,1-3H3.
What are the key properties of methyl 4-[[ethyl-[4-(2-methylphenoxy)benzoyl]amino]methyl]benzoate?
methyl 4-[[ethyl-[4-(2-methylphenoxy)benzoyl]amino]methyl]benzoate has a molecular weight of 403.48 g/mol, XLogP of 5.24, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[ethyl-[4-(2-methylphenoxy)benzoyl]amino]methyl]benzoate is sourced from PubChem (CID 125468730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).