[3-[3-(methylcarbamoyl)phenoxy]phenyl]-propan-2-ylcarbamic acid

C18H20N2O4 — CID 175210839

IUPAC[3-[3-(methylcarbamoyl)phenoxy]phenyl]-propan-2-ylcarbamic acid
SMILESCNC(=O)c1cccc(Oc2cccc(N(C(=O)O)C(C)C)c2)c1
InChIInChI=1S/C18H20N2O4/c1-12(2)20(18(22)23)14-7-5-9-16(11-14)24-15-8-4-6-13(10-15)17(21)19-3/h4-12H,1-3H3,(H,19,21)(H,22,23)
InChIKeyOGVQCSQBMTUHTH-UHFFFAOYSA-N
MW328.37 g/mol
LogP3.73
Rot. Bonds5

About [3-[3-(methylcarbamoyl)phenoxy]phenyl]-propan-2-ylcarbamic acid

[3-[3-(methylcarbamoyl)phenoxy]phenyl]-propan-2-ylcarbamic acid (PubChem CID 175210839) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is [3-[3-(methylcarbamoyl)phenoxy]phenyl]-propan-2-ylcarbamic acid.

Molecular Properties

Compound Name[3-[3-(methylcarbamoyl)phenoxy]phenyl]-propan-2-ylcarbamic acid
PubChem CID175210839
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name[3-[3-(methylcarbamoyl)phenoxy]phenyl]-propan-2-ylcarbamic acid
SMILESCNC(=O)c1cccc(Oc2cccc(N(C(=O)O)C(C)C)c2)c1
InChIInChI=1S/C18H20N2O4/c1-12(2)20(18(22)23)14-7-5-9-16(11-14)24-15-8-4-6-13(10-15)17(21)19-3/h4-12H,1-3H3,(H,19,21)(H,22,23)
InChIKeyOGVQCSQBMTUHTH-UHFFFAOYSA-N
XLogP3.73
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-bromophenoxy)-N-methylbenzamide
CID 169337021
N-(3-phenoxyphenyl)-N-propan-2-ylcarbamoyl chloride
CID 18548239
[3-[bis(2-chloropropan-2-yl)carbamoyloxy]phenyl]-propan-2-ylcarbamic acid
CID 70584966
N-methyl-3-(2-methylphenoxy)benzamide
CID 143860787
(3-fluorophenyl)-propan-2-ylcarbamic acid
CID 57350235
[3-[ethyl(phenyl)carbamoyl]oxyphenyl]-propan-2-ylcarbamic acid
CID 57100117
[3-[methyl-(4-methylphenyl)carbamoyl]oxyphenyl]-propan-2-ylcarbamic acid
CID 57194295
3-[4-[(3-chloro-2-hydroxypropyl)amino]phenoxy]-N-methylbenzamide
CID 168639757
3-[iodo(methyl)amino]-N-methylbenzamide
CID 146943364
N-methyl-3-[methyl(sulfanyl)amino]benzamide
CID 175836337
1-(3-methoxyphenyl)-1-propan-2-ylurea
CID 3032131
3-(4-fluorophenoxy)-N-propan-2-ylbenzamide
CID 12941904

Frequently Asked Questions

What is the IUPAC name of [3-[3-(methylcarbamoyl)phenoxy]phenyl]-propan-2-ylcarbamic acid?
The IUPAC name of [3-[3-(methylcarbamoyl)phenoxy]phenyl]-propan-2-ylcarbamic acid (CID 175210839) is [3-[3-(methylcarbamoyl)phenoxy]phenyl]-propan-2-ylcarbamic acid.
What is the SMILES notation for [3-[3-(methylcarbamoyl)phenoxy]phenyl]-propan-2-ylcarbamic acid?
The canonical SMILES for [3-[3-(methylcarbamoyl)phenoxy]phenyl]-propan-2-ylcarbamic acid is CNC(=O)c1cccc(Oc2cccc(N(C(=O)O)C(C)C)c2)c1.
What is the InChIKey of [3-[3-(methylcarbamoyl)phenoxy]phenyl]-propan-2-ylcarbamic acid?
The InChIKey is OGVQCSQBMTUHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-12(2)20(18(22)23)14-7-5-9-16(11-14)24-15-8-4-6-13(10-15)17(21)19-3/h4-12H,1-3H3,(H,19,21)(H,22,23).
What are the key properties of [3-[3-(methylcarbamoyl)phenoxy]phenyl]-propan-2-ylcarbamic acid?
[3-[3-(methylcarbamoyl)phenoxy]phenyl]-propan-2-ylcarbamic acid has a molecular weight of 328.37 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(methylcarbamoyl)phenoxy]phenyl]-propan-2-ylcarbamic acid is sourced from PubChem (CID 175210839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).