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

C20H24N2O4 — CID 57156318

IUPAC[3-[ethyl-(2-methylphenyl)carbamoyl]oxyphenyl]-propan-2-ylcarbamic acid
SMILESCCN(C(=O)Oc1cccc(N(C(=O)O)C(C)C)c1)c1ccccc1C
InChIInChI=1S/C20H24N2O4/c1-5-21(18-12-7-6-9-15(18)4)20(25)26-17-11-8-10-16(13-17)22(14(2)3)19(23)24/h6-14H,5H2,1-4H3,(H,23,24)
InChIKeySWTDIFJNVAIFPY-UHFFFAOYSA-N
MW356.42 g/mol
LogP4.91
Rot. Bonds5

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

[3-[ethyl-(2-methylphenyl)carbamoyl]oxyphenyl]-propan-2-ylcarbamic acid (PubChem CID 57156318) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is [3-[ethyl-(2-methylphenyl)carbamoyl]oxyphenyl]-propan-2-ylcarbamic acid.

Molecular Properties

Compound Name[3-[ethyl-(2-methylphenyl)carbamoyl]oxyphenyl]-propan-2-ylcarbamic acid
PubChem CID57156318
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name[3-[ethyl-(2-methylphenyl)carbamoyl]oxyphenyl]-propan-2-ylcarbamic acid
SMILESCCN(C(=O)Oc1cccc(N(C(=O)O)C(C)C)c1)c1ccccc1C
InChIInChI=1S/C20H24N2O4/c1-5-21(18-12-7-6-9-15(18)4)20(25)26-17-11-8-10-16(13-17)22(14(2)3)19(23)24/h6-14H,5H2,1-4H3,(H,23,24)
InChIKeySWTDIFJNVAIFPY-UHFFFAOYSA-N
XLogP4.91
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-[ethyl-(2-methylphenyl)carbamoyl]oxyphenyl]-propan-2-ylcarbamic acid?
The IUPAC name of [3-[ethyl-(2-methylphenyl)carbamoyl]oxyphenyl]-propan-2-ylcarbamic acid (CID 57156318) is [3-[ethyl-(2-methylphenyl)carbamoyl]oxyphenyl]-propan-2-ylcarbamic acid.
What is the SMILES notation for [3-[ethyl-(2-methylphenyl)carbamoyl]oxyphenyl]-propan-2-ylcarbamic acid?
The canonical SMILES for [3-[ethyl-(2-methylphenyl)carbamoyl]oxyphenyl]-propan-2-ylcarbamic acid is CCN(C(=O)Oc1cccc(N(C(=O)O)C(C)C)c1)c1ccccc1C.
What is the InChIKey of [3-[ethyl-(2-methylphenyl)carbamoyl]oxyphenyl]-propan-2-ylcarbamic acid?
The InChIKey is SWTDIFJNVAIFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-5-21(18-12-7-6-9-15(18)4)20(25)26-17-11-8-10-16(13-17)22(14(2)3)19(23)24/h6-14H,5H2,1-4H3,(H,23,24).
What are the key properties of [3-[ethyl-(2-methylphenyl)carbamoyl]oxyphenyl]-propan-2-ylcarbamic acid?
[3-[ethyl-(2-methylphenyl)carbamoyl]oxyphenyl]-propan-2-ylcarbamic acid has a molecular weight of 356.42 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[ethyl-(2-methylphenyl)carbamoyl]oxyphenyl]-propan-2-ylcarbamic acid is sourced from PubChem (CID 57156318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).