methyl 3-(methoxymethyl)-5-(phenylmethoxycarbonylamino)benzoate

C18H19NO5 — CID 67441922

IUPACmethyl 3-(methoxymethyl)-5-(phenylmethoxycarbonylamino)benzoate
SMILESCOCc1cc(NC(=O)OCc2ccccc2)cc(C(=O)OC)c1
InChIInChI=1S/C18H19NO5/c1-22-11-14-8-15(17(20)23-2)10-16(9-14)19-18(21)24-12-13-6-4-3-5-7-13/h3-10H,11-12H2,1-2H3,(H,19,21)
InChIKeyFHTHCCPCKZCYLD-UHFFFAOYSA-N
MW329.35 g/mol
LogP3.37
Rot. Bonds6

About methyl 3-(methoxymethyl)-5-(phenylmethoxycarbonylamino)benzoate

methyl 3-(methoxymethyl)-5-(phenylmethoxycarbonylamino)benzoate (PubChem CID 67441922) has the molecular formula C18H19NO5 and a molecular weight of 329.35 g/mol. Its IUPAC name is methyl 3-(methoxymethyl)-5-(phenylmethoxycarbonylamino)benzoate.

Molecular Properties

Compound Namemethyl 3-(methoxymethyl)-5-(phenylmethoxycarbonylamino)benzoate
PubChem CID67441922
Molecular FormulaC18H19NO5
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC Namemethyl 3-(methoxymethyl)-5-(phenylmethoxycarbonylamino)benzoate
SMILESCOCc1cc(NC(=O)OCc2ccccc2)cc(C(=O)OC)c1
InChIInChI=1S/C18H19NO5/c1-22-11-14-8-15(17(20)23-2)10-16(9-14)19-18(21)24-12-13-6-4-3-5-7-13/h3-10H,11-12H2,1-2H3,(H,19,21)
InChIKeyFHTHCCPCKZCYLD-UHFFFAOYSA-N
XLogP3.37
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-(2-oxopyrrolidin-1-yl)-5-(phenylmethoxycarbonylamino)benzoate
CID 67438703
3-methoxy-5-(phenylmethoxycarbonylamino)benzoic acid
CID 68546183
methyl 3-amino-4-(phenylmethoxycarbonylamino)benzoate
CID 146261827
3-iodo-5-(phenylmethoxycarbonylamino)benzoic acid
CID 130535415
dimethyl 5-[(2-phenylacetyl)amino]benzene-1,3-dicarboxylate
CID 668857
4-O-benzyl 1-O-methyl benzene-1,4-dicarboxylate
CID 595908
benzyl N-(4-acetylphenyl)carbamate
CID 2994007
methyl 3-[2-(phenylmethoxycarbonylamino)ethyl]benzoate
CID 175662966
benzyl N-[3-(2-hydroxypropoxymethyl)-5-(phenylmethoxycarbonylamino)phenyl]carbamate
CID 101435909
benzyl N-(3,5-dichloro-4-hydroxyphenyl)carbamate
CID 22048547
methyl 5-(phenylmethoxycarbonylamino)-2-phenylmethoxycarbonyloxybenzoate
CID 139741057
benzyl N-(4-amino-3-methoxyphenyl)carbamate
CID 154476991

Frequently Asked Questions

What is the IUPAC name of methyl 3-(methoxymethyl)-5-(phenylmethoxycarbonylamino)benzoate?
The IUPAC name of methyl 3-(methoxymethyl)-5-(phenylmethoxycarbonylamino)benzoate (CID 67441922) is methyl 3-(methoxymethyl)-5-(phenylmethoxycarbonylamino)benzoate.
What is the SMILES notation for methyl 3-(methoxymethyl)-5-(phenylmethoxycarbonylamino)benzoate?
The canonical SMILES for methyl 3-(methoxymethyl)-5-(phenylmethoxycarbonylamino)benzoate is COCc1cc(NC(=O)OCc2ccccc2)cc(C(=O)OC)c1.
What is the InChIKey of methyl 3-(methoxymethyl)-5-(phenylmethoxycarbonylamino)benzoate?
The InChIKey is FHTHCCPCKZCYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO5/c1-22-11-14-8-15(17(20)23-2)10-16(9-14)19-18(21)24-12-13-6-4-3-5-7-13/h3-10H,11-12H2,1-2H3,(H,19,21).
What are the key properties of methyl 3-(methoxymethyl)-5-(phenylmethoxycarbonylamino)benzoate?
methyl 3-(methoxymethyl)-5-(phenylmethoxycarbonylamino)benzoate has a molecular weight of 329.35 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(methoxymethyl)-5-(phenylmethoxycarbonylamino)benzoate is sourced from PubChem (CID 67441922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).