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

C19H22N2O4 — CID 57100117

IUPAC[3-[ethyl(phenyl)carbamoyl]oxyphenyl]-propan-2-ylcarbamic acid
SMILESCCN(C(=O)Oc1cccc(N(C(=O)O)C(C)C)c1)c1ccccc1
InChIInChI=1S/C19H22N2O4/c1-4-20(15-9-6-5-7-10-15)19(24)25-17-12-8-11-16(13-17)21(14(2)3)18(22)23/h5-14H,4H2,1-3H3,(H,22,23)
InChIKeyKRNIFYDFHBZIER-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.60
Rot. Bonds5

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

[3-[ethyl(phenyl)carbamoyl]oxyphenyl]-propan-2-ylcarbamic acid (PubChem CID 57100117) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is [3-[ethyl(phenyl)carbamoyl]oxyphenyl]-propan-2-ylcarbamic acid.

Molecular Properties

Compound Name[3-[ethyl(phenyl)carbamoyl]oxyphenyl]-propan-2-ylcarbamic acid
PubChem CID57100117
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name[3-[ethyl(phenyl)carbamoyl]oxyphenyl]-propan-2-ylcarbamic acid
SMILESCCN(C(=O)Oc1cccc(N(C(=O)O)C(C)C)c1)c1ccccc1
InChIInChI=1S/C19H22N2O4/c1-4-20(15-9-6-5-7-10-15)19(24)25-17-12-8-11-16(13-17)21(14(2)3)18(22)23/h5-14H,4H2,1-3H3,(H,22,23)
InChIKeyKRNIFYDFHBZIER-UHFFFAOYSA-N
XLogP4.60
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[ethyl-(2-methylphenyl)carbamoyl]oxyphenyl]-propan-2-ylcarbamic acid
CID 57156318
ethyl-[3-[phenyl(propyl)carbamoyl]oxyphenyl]carbamic acid
CID 57057134
[3-[bis(2-chloropropan-2-yl)carbamoyloxy]phenyl]-propan-2-ylcarbamic acid
CID 70584966
[3-[methyl-(4-methylphenyl)carbamoyl]oxyphenyl]-propan-2-ylcarbamic acid
CID 57194295
2-bromoethyl-[3-[ethyl-(2-methylphenyl)carbamoyl]oxyphenyl]carbamic acid
CID 57235599
[3-[3-(methylcarbamoyl)phenoxy]phenyl]-propan-2-ylcarbamic acid
CID 175210839
N-(3-phenoxyphenyl)-N-propan-2-ylcarbamoyl chloride
CID 18548239
(3-fluorophenyl)-propan-2-ylcarbamic acid
CID 57350235
(2S)-N-ethyl-2-phenoxy-N-phenylpropanamide
CID 670227
N-ethyl-3-methoxy-N-phenylbenzamide
CID 3345220
[3-(dimethylamino)phenyl] N-benzyl-N-methylcarbamate
CID 13371954
(2S)-N-ethyl-2-[(3-methoxyphenyl)methylsulfonyl]-N-phenylpropanamide
CID 51947128

Frequently Asked Questions

What is the IUPAC name of [3-[ethyl(phenyl)carbamoyl]oxyphenyl]-propan-2-ylcarbamic acid?
The IUPAC name of [3-[ethyl(phenyl)carbamoyl]oxyphenyl]-propan-2-ylcarbamic acid (CID 57100117) is [3-[ethyl(phenyl)carbamoyl]oxyphenyl]-propan-2-ylcarbamic acid.
What is the SMILES notation for [3-[ethyl(phenyl)carbamoyl]oxyphenyl]-propan-2-ylcarbamic acid?
The canonical SMILES for [3-[ethyl(phenyl)carbamoyl]oxyphenyl]-propan-2-ylcarbamic acid is CCN(C(=O)Oc1cccc(N(C(=O)O)C(C)C)c1)c1ccccc1.
What is the InChIKey of [3-[ethyl(phenyl)carbamoyl]oxyphenyl]-propan-2-ylcarbamic acid?
The InChIKey is KRNIFYDFHBZIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-4-20(15-9-6-5-7-10-15)19(24)25-17-12-8-11-16(13-17)21(14(2)3)18(22)23/h5-14H,4H2,1-3H3,(H,22,23).
What are the key properties of [3-[ethyl(phenyl)carbamoyl]oxyphenyl]-propan-2-ylcarbamic acid?
[3-[ethyl(phenyl)carbamoyl]oxyphenyl]-propan-2-ylcarbamic acid has a molecular weight of 342.40 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[ethyl(phenyl)carbamoyl]oxyphenyl]-propan-2-ylcarbamic acid is sourced from PubChem (CID 57100117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).