methyl 2-[4-(phenoxycarbonylamino)phenyl]acetate

C16H15NO4 — CID 10957066

IUPACmethyl 2-[4-(phenoxycarbonylamino)phenyl]acetate
SMILESCOC(=O)Cc1ccc(NC(=O)Oc2ccccc2)cc1
InChIInChI=1S/C16H15NO4/c1-20-15(18)11-12-7-9-13(10-8-12)17-16(19)21-14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,17,19)
InChIKeyAKQKYXGVGQJOSF-UHFFFAOYSA-N
MW285.30 g/mol
LogP3.01
Rot. Bonds4

About methyl 2-[4-(phenoxycarbonylamino)phenyl]acetate

methyl 2-[4-(phenoxycarbonylamino)phenyl]acetate (PubChem CID 10957066) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is methyl 2-[4-(phenoxycarbonylamino)phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(phenoxycarbonylamino)phenyl]acetate
PubChem CID10957066
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Namemethyl 2-[4-(phenoxycarbonylamino)phenyl]acetate
SMILESCOC(=O)Cc1ccc(NC(=O)Oc2ccccc2)cc1
InChIInChI=1S/C16H15NO4/c1-20-15(18)11-12-7-9-13(10-8-12)17-16(19)21-14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,17,19)
InChIKeyAKQKYXGVGQJOSF-UHFFFAOYSA-N
XLogP3.01
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

phenyl N-(4-pentylphenyl)carbamate
CID 60630597
phenyl N-[4-[(propan-2-ylamino)methyl]phenyl]carbamate
CID 106911564
hexakis(methyl 2-phenylacetate);hexakis(N-phenylacetamide)
CID 174503010
CID 172801156
CID 172801156
(4-phenylphenyl) N-[4-[[4-[(4-phenylphenoxy)carbonylamino]phenyl]methyl]phenyl]carbamate
CID 67179519
phenyl N-(4-iodophenyl)carbamate
CID 73442286
(4-acetamidophenyl) N-phenylcarbamate
CID 58706000
methyl 2-[4-(prop-2-enoxycarbonylamino)phenyl]acetate
CID 167022304
methyl 4-[[4-(phenoxycarbonylamino)phenyl]sulfonylmethyl]benzoate
CID 130466969
carbon dioxide;methyl 2-phenylacetate
CID 159198536
phenyl N-(4-carbamoylphenyl)carbamate
CID 60631229
[4-(phenoxycarbonylamino)phenyl] 2-methylprop-2-enoate
CID 19076921

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(phenoxycarbonylamino)phenyl]acetate?
The IUPAC name of methyl 2-[4-(phenoxycarbonylamino)phenyl]acetate (CID 10957066) is methyl 2-[4-(phenoxycarbonylamino)phenyl]acetate.
What is the SMILES notation for methyl 2-[4-(phenoxycarbonylamino)phenyl]acetate?
The canonical SMILES for methyl 2-[4-(phenoxycarbonylamino)phenyl]acetate is COC(=O)Cc1ccc(NC(=O)Oc2ccccc2)cc1.
What is the InChIKey of methyl 2-[4-(phenoxycarbonylamino)phenyl]acetate?
The InChIKey is AKQKYXGVGQJOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-20-15(18)11-12-7-9-13(10-8-12)17-16(19)21-14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,17,19).
What are the key properties of methyl 2-[4-(phenoxycarbonylamino)phenyl]acetate?
methyl 2-[4-(phenoxycarbonylamino)phenyl]acetate has a molecular weight of 285.30 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(phenoxycarbonylamino)phenyl]acetate is sourced from PubChem (CID 10957066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).