[1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 4-phenylbenzoate

C19H20N2O4 — CID 18080375

IUPAC[1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 4-phenylbenzoate
SMILESCC(C)C(OC(=O)c1ccc(-c2ccccc2)cc1)C(=O)NC(N)=O
InChIInChI=1S/C19H20N2O4/c1-12(2)16(17(22)21-19(20)24)25-18(23)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-12,16H,1-2H3,(H3,20,21,22,24)
InChIKeySKOAHCQURAULAH-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.73
Rot. Bonds5

About [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 4-phenylbenzoate

[1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 4-phenylbenzoate (PubChem CID 18080375) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 4-phenylbenzoate.

Molecular Properties

Compound Name[1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 4-phenylbenzoate
PubChem CID18080375
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name[1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 4-phenylbenzoate
SMILESCC(C)C(OC(=O)c1ccc(-c2ccccc2)cc1)C(=O)NC(N)=O
InChIInChI=1S/C19H20N2O4/c1-12(2)16(17(22)21-19(20)24)25-18(23)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-12,16H,1-2H3,(H3,20,21,22,24)
InChIKeySKOAHCQURAULAH-UHFFFAOYSA-N
XLogP2.73
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-phenylbenzoate
CID 2520636
[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 4-fluorobenzoate
CID 7478298
[(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-chlorobenzoate
CID 7866412
[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 8647035
[(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate
CID 8618054
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-(4-hydroxyphenyl)benzoate
CID 7133584
[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3,5-dimethoxybenzoate
CID 7727195
[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate
CID 7727944
[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] (2R)-2-phenylsulfanylpropanoate
CID 7806532
[(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] (2S)-2-phenylbutanoate
CID 7811330
[1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] furan-2-carboxylate
CID 18080365
[1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)benzoate
CID 55305376

Frequently Asked Questions

What is the IUPAC name of [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 4-phenylbenzoate?
The IUPAC name of [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 4-phenylbenzoate (CID 18080375) is [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 4-phenylbenzoate.
What is the SMILES notation for [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 4-phenylbenzoate?
The canonical SMILES for [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 4-phenylbenzoate is CC(C)C(OC(=O)c1ccc(-c2ccccc2)cc1)C(=O)NC(N)=O.
What is the InChIKey of [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 4-phenylbenzoate?
The InChIKey is SKOAHCQURAULAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-12(2)16(17(22)21-19(20)24)25-18(23)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-12,16H,1-2H3,(H3,20,21,22,24).
What are the key properties of [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 4-phenylbenzoate?
[1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 4-phenylbenzoate has a molecular weight of 340.38 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 4-phenylbenzoate is sourced from PubChem (CID 18080375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).