methyl 4-[(N-ethyl-2-phenylmethoxyanilino)methyl]benzoate

C24H25NO3 — CID 22675546

IUPACmethyl 4-[(N-ethyl-2-phenylmethoxyanilino)methyl]benzoate
SMILESCCN(Cc1ccc(C(=O)OC)cc1)c1ccccc1OCc1ccccc1
InChIInChI=1S/C24H25NO3/c1-3-25(17-19-13-15-21(16-14-19)24(26)27-2)22-11-7-8-12-23(22)28-18-20-9-5-4-6-10-20/h4-16H,3,17-18H2,1-2H3
InChIKeyMZNGVTFKMBJXIK-UHFFFAOYSA-N
MW375.47 g/mol
LogP5.08
Rot. Bonds8

About methyl 4-[(N-ethyl-2-phenylmethoxyanilino)methyl]benzoate

methyl 4-[(N-ethyl-2-phenylmethoxyanilino)methyl]benzoate (PubChem CID 22675546) has the molecular formula C24H25NO3 and a molecular weight of 375.47 g/mol. Its IUPAC name is methyl 4-[(N-ethyl-2-phenylmethoxyanilino)methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(N-ethyl-2-phenylmethoxyanilino)methyl]benzoate
PubChem CID22675546
Molecular FormulaC24H25NO3
Molecular Weight375.47 g/mol
Exact Mass375.18
IUPAC Namemethyl 4-[(N-ethyl-2-phenylmethoxyanilino)methyl]benzoate
SMILESCCN(Cc1ccc(C(=O)OC)cc1)c1ccccc1OCc1ccccc1
InChIInChI=1S/C24H25NO3/c1-3-25(17-19-13-15-21(16-14-19)24(26)27-2)22-11-7-8-12-23(22)28-18-20-9-5-4-6-10-20/h4-16H,3,17-18H2,1-2H3
InChIKeyMZNGVTFKMBJXIK-UHFFFAOYSA-N
XLogP5.08
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.47
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(N-ethyl-2-phenylmethoxyanilino)methyl]benzoic acid
CID 22675483
methyl 2-[(4-methoxycarbonylphenyl)methoxy]benzoate
CID 7894205
methyl 4-[[3-aminopropyl-(2-phenylmethoxybenzoyl)amino]methyl]benzoate
CID 143404942
methyl 4-[(2-acetylphenoxy)methyl]benzoate
CID 9172369
methyl 4-[(2-phenylmethoxyphenyl)carbamoyl]benzoate
CID 17178291
methyl 4-[[2-(benzylcarbamoyl)phenoxy]methyl]benzoate
CID 7981645
methyl 2-amino-3-[benzyl(ethyl)amino]benzoate
CID 115544694
methyl 4-[benzyl(phenyl)carbamoyl]benzoate
CID 24819418
N,N-dimethylmethanamine;methyl 3-methoxy-4-phenylmethoxybenzoate
CID 145103744
methyl 4-[(2-phenylmethoxybenzoyl)amino]benzoate
CID 4946351
methyl 6-[(5-bromo-2-phenylmethoxyphenyl)methyl-ethylamino]pyridine-3-carboxylate
CID 22622546
4-O-benzyl 1-O-methyl benzene-1,4-dicarboxylate
CID 595908

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(N-ethyl-2-phenylmethoxyanilino)methyl]benzoate?
The IUPAC name of methyl 4-[(N-ethyl-2-phenylmethoxyanilino)methyl]benzoate (CID 22675546) is methyl 4-[(N-ethyl-2-phenylmethoxyanilino)methyl]benzoate.
What is the SMILES notation for methyl 4-[(N-ethyl-2-phenylmethoxyanilino)methyl]benzoate?
The canonical SMILES for methyl 4-[(N-ethyl-2-phenylmethoxyanilino)methyl]benzoate is CCN(Cc1ccc(C(=O)OC)cc1)c1ccccc1OCc1ccccc1.
What is the InChIKey of methyl 4-[(N-ethyl-2-phenylmethoxyanilino)methyl]benzoate?
The InChIKey is MZNGVTFKMBJXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO3/c1-3-25(17-19-13-15-21(16-14-19)24(26)27-2)22-11-7-8-12-23(22)28-18-20-9-5-4-6-10-20/h4-16H,3,17-18H2,1-2H3.
What are the key properties of methyl 4-[(N-ethyl-2-phenylmethoxyanilino)methyl]benzoate?
methyl 4-[(N-ethyl-2-phenylmethoxyanilino)methyl]benzoate has a molecular weight of 375.47 g/mol, XLogP of 5.08, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(N-ethyl-2-phenylmethoxyanilino)methyl]benzoate is sourced from PubChem (CID 22675546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).