[3-[methyl-(4-methylphenyl)carbamoyl]oxyphenyl]-propan-2-ylcarbamic acid

C19H22N2O4 — CID 57194295

IUPAC[3-[methyl-(4-methylphenyl)carbamoyl]oxyphenyl]-propan-2-ylcarbamic acid
SMILESCc1ccc(N(C)C(=O)Oc2cccc(N(C(=O)O)C(C)C)c2)cc1
InChIInChI=1S/C19H22N2O4/c1-13(2)21(18(22)23)16-6-5-7-17(12-16)25-19(24)20(4)15-10-8-14(3)9-11-15/h5-13H,1-4H3,(H,22,23)
InChIKeyWKAVKWFEMHTANE-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.52
Rot. Bonds4

About [3-[methyl-(4-methylphenyl)carbamoyl]oxyphenyl]-propan-2-ylcarbamic acid

[3-[methyl-(4-methylphenyl)carbamoyl]oxyphenyl]-propan-2-ylcarbamic acid (PubChem CID 57194295) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is [3-[methyl-(4-methylphenyl)carbamoyl]oxyphenyl]-propan-2-ylcarbamic acid.

Molecular Properties

Compound Name[3-[methyl-(4-methylphenyl)carbamoyl]oxyphenyl]-propan-2-ylcarbamic acid
PubChem CID57194295
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name[3-[methyl-(4-methylphenyl)carbamoyl]oxyphenyl]-propan-2-ylcarbamic acid
SMILESCc1ccc(N(C)C(=O)Oc2cccc(N(C(=O)O)C(C)C)c2)cc1
InChIInChI=1S/C19H22N2O4/c1-13(2)21(18(22)23)16-6-5-7-17(12-16)25-19(24)20(4)15-10-8-14(3)9-11-15/h5-13H,1-4H3,(H,22,23)
InChIKeyWKAVKWFEMHTANE-UHFFFAOYSA-N
XLogP4.52
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[bis(2-chloropropan-2-yl)carbamoyloxy]phenyl]-propan-2-ylcarbamic acid
CID 70584966
[3-[ethyl(phenyl)carbamoyl]oxyphenyl]-propan-2-ylcarbamic acid
CID 57100117
[3-[ethyl-(2-methylphenyl)carbamoyl]oxyphenyl]-propan-2-ylcarbamic acid
CID 57156318
methyl 3-[methyl(phenyl)carbamoyl]oxybenzoate
CID 71541824
[3-[3-(methylcarbamoyl)phenoxy]phenyl]-propan-2-ylcarbamic acid
CID 175210839
(3-fluorophenyl)-propan-2-ylcarbamic acid
CID 57350235
propan-2-yl N-(3-methoxyphenyl)-N-methylcarbamate
CID 116655313
(4-phenylphenyl)-propan-2-ylcarbamic acid
CID 118254837
(4-acetamidophenyl) N-methyl-N-(4-methylphenyl)carbamate
CID 977123
N-(3-phenoxyphenyl)-N-propan-2-ylcarbamoyl chloride
CID 18548239
[3-(propan-2-yloxycarbonylamino)phenyl] N-(4-fluorophenyl)-N-methylcarbamate
CID 154118331
1-(3-methoxyphenyl)-1-propan-2-ylurea
CID 3032131

Frequently Asked Questions

What is the IUPAC name of [3-[methyl-(4-methylphenyl)carbamoyl]oxyphenyl]-propan-2-ylcarbamic acid?
The IUPAC name of [3-[methyl-(4-methylphenyl)carbamoyl]oxyphenyl]-propan-2-ylcarbamic acid (CID 57194295) is [3-[methyl-(4-methylphenyl)carbamoyl]oxyphenyl]-propan-2-ylcarbamic acid.
What is the SMILES notation for [3-[methyl-(4-methylphenyl)carbamoyl]oxyphenyl]-propan-2-ylcarbamic acid?
The canonical SMILES for [3-[methyl-(4-methylphenyl)carbamoyl]oxyphenyl]-propan-2-ylcarbamic acid is Cc1ccc(N(C)C(=O)Oc2cccc(N(C(=O)O)C(C)C)c2)cc1.
What is the InChIKey of [3-[methyl-(4-methylphenyl)carbamoyl]oxyphenyl]-propan-2-ylcarbamic acid?
The InChIKey is WKAVKWFEMHTANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-13(2)21(18(22)23)16-6-5-7-17(12-16)25-19(24)20(4)15-10-8-14(3)9-11-15/h5-13H,1-4H3,(H,22,23).
What are the key properties of [3-[methyl-(4-methylphenyl)carbamoyl]oxyphenyl]-propan-2-ylcarbamic acid?
[3-[methyl-(4-methylphenyl)carbamoyl]oxyphenyl]-propan-2-ylcarbamic acid has a molecular weight of 342.40 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[methyl-(4-methylphenyl)carbamoyl]oxyphenyl]-propan-2-ylcarbamic acid is sourced from PubChem (CID 57194295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).