methyl 3-[[2-(phenylmethoxymethyl)phenyl]methylcarbamoyl]benzoate

C24H23NO4 — CID 55766169

IUPACmethyl 3-[[2-(phenylmethoxymethyl)phenyl]methylcarbamoyl]benzoate
SMILESCOC(=O)c1cccc(C(=O)NCc2ccccc2COCc2ccccc2)c1
InChIInChI=1S/C24H23NO4/c1-28-24(27)20-13-7-12-19(14-20)23(26)25-15-21-10-5-6-11-22(21)17-29-16-18-8-3-2-4-9-18/h2-14H,15-17H2,1H3,(H,25,26)
InChIKeyOAIGXZAMKFAVHN-UHFFFAOYSA-N
MW389.45 g/mol
LogP4.12
Rot. Bonds8

About methyl 3-[[2-(phenylmethoxymethyl)phenyl]methylcarbamoyl]benzoate

methyl 3-[[2-(phenylmethoxymethyl)phenyl]methylcarbamoyl]benzoate (PubChem CID 55766169) has the molecular formula C24H23NO4 and a molecular weight of 389.45 g/mol. Its IUPAC name is methyl 3-[[2-(phenylmethoxymethyl)phenyl]methylcarbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[[2-(phenylmethoxymethyl)phenyl]methylcarbamoyl]benzoate
PubChem CID55766169
Molecular FormulaC24H23NO4
Molecular Weight389.45 g/mol
Exact Mass389.16
IUPAC Namemethyl 3-[[2-(phenylmethoxymethyl)phenyl]methylcarbamoyl]benzoate
SMILESCOC(=O)c1cccc(C(=O)NCc2ccccc2COCc2ccccc2)c1
InChIInChI=1S/C24H23NO4/c1-28-24(27)20-13-7-12-19(14-20)23(26)25-15-21-10-5-6-11-22(21)17-29-16-18-8-3-2-4-9-18/h2-14H,15-17H2,1H3,(H,25,26)
InChIKeyOAIGXZAMKFAVHN-UHFFFAOYSA-N
XLogP4.12
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

dimethyl benzene-1,3-dicarboxylate;1-phenylpropan-2-one
CID 174735167
methyl 3-[[4-(benzylcarbamoyl)phenyl]carbamoyl]benzoate
CID 28640040
methyl 3-(benzamidocarbamoyl)benzoate
CID 17175438
3-iodo-N-[[2-(methoxymethyl)phenyl]methyl]benzamide
CID 32602369
methyl (2R)-2-methyl-4-oxo-4-[[2-(phenylmethoxymethyl)phenyl]methylamino]butanoate
CID 97019366
2,4,5-trimethyl-N-[[2-(phenylmethoxymethyl)phenyl]methyl]furan-3-carboxamide
CID 46456653
4-(benzenesulfonylmethyl)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]benzamide
CID 55762787
2-[(3-methoxycarbonylbenzoyl)amino]acetic acid
CID 108786639
(2R)-2-amino-N-[[2-(phenylmethoxymethyl)phenyl]methyl]propanamide
CID 119286428
2,5-dichloro-N-[[2-(phenylmethoxymethyl)phenyl]methyl]thiophene-3-carboxamide
CID 55694446
2-(4-bromophenyl)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide
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methyl 3-(phenylmethoxymethoxy)benzoate
CID 175253615

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(phenylmethoxymethyl)phenyl]methylcarbamoyl]benzoate?
The IUPAC name of methyl 3-[[2-(phenylmethoxymethyl)phenyl]methylcarbamoyl]benzoate (CID 55766169) is methyl 3-[[2-(phenylmethoxymethyl)phenyl]methylcarbamoyl]benzoate.
What is the SMILES notation for methyl 3-[[2-(phenylmethoxymethyl)phenyl]methylcarbamoyl]benzoate?
The canonical SMILES for methyl 3-[[2-(phenylmethoxymethyl)phenyl]methylcarbamoyl]benzoate is COC(=O)c1cccc(C(=O)NCc2ccccc2COCc2ccccc2)c1.
What is the InChIKey of methyl 3-[[2-(phenylmethoxymethyl)phenyl]methylcarbamoyl]benzoate?
The InChIKey is OAIGXZAMKFAVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO4/c1-28-24(27)20-13-7-12-19(14-20)23(26)25-15-21-10-5-6-11-22(21)17-29-16-18-8-3-2-4-9-18/h2-14H,15-17H2,1H3,(H,25,26).
What are the key properties of methyl 3-[[2-(phenylmethoxymethyl)phenyl]methylcarbamoyl]benzoate?
methyl 3-[[2-(phenylmethoxymethyl)phenyl]methylcarbamoyl]benzoate has a molecular weight of 389.45 g/mol, XLogP of 4.12, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(phenylmethoxymethyl)phenyl]methylcarbamoyl]benzoate is sourced from PubChem (CID 55766169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).