[1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 4-(acetamidomethyl)benzoate

C18H25N3O5 — CID 18092248

IUPAC[1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 4-(acetamidomethyl)benzoate
SMILESCC(=O)NCc1ccc(C(=O)OC(C)C(=O)NC(=O)NC(C)(C)C)cc1
InChIInChI=1S/C18H25N3O5/c1-11(15(23)20-17(25)21-18(3,4)5)26-16(24)14-8-6-13(7-9-14)10-19-12(2)22/h6-9,11H,10H2,1-5H3,(H,19,22)(H2,20,21,23,25)
InChIKeyWNEFVMZAALBHKX-UHFFFAOYSA-N
MW363.41 g/mol
LogP1.49
Rot. Bonds5

About [1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 4-(acetamidomethyl)benzoate

[1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 4-(acetamidomethyl)benzoate (PubChem CID 18092248) has the molecular formula C18H25N3O5 and a molecular weight of 363.41 g/mol. Its IUPAC name is [1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 4-(acetamidomethyl)benzoate.

Molecular Properties

Compound Name[1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 4-(acetamidomethyl)benzoate
PubChem CID18092248
Molecular FormulaC18H25N3O5
Molecular Weight363.41 g/mol
Exact Mass363.18
IUPAC Name[1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 4-(acetamidomethyl)benzoate
SMILESCC(=O)NCc1ccc(C(=O)OC(C)C(=O)NC(=O)NC(C)(C)C)cc1
InChIInChI=1S/C18H25N3O5/c1-11(15(23)20-17(25)21-18(3,4)5)26-16(24)14-8-6-13(7-9-14)10-19-12(2)22/h6-9,11H,10H2,1-5H3,(H,19,22)(H2,20,21,23,25)
InChIKeyWNEFVMZAALBHKX-UHFFFAOYSA-N
XLogP1.49
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[(2-cyano-3-methylbutan-2-yl)amino]-1-oxopropan-2-yl] 4-(acetamidomethyl)benzoate
CID 18128343
[1-(cyclopentylamino)-1-oxopropan-2-yl] 4-(acetamidomethyl)benzoate
CID 18195613
[(2R)-1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 3-amino-4-methylbenzoate
CID 9298171
[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 4-(acetamidomethyl)benzoate
CID 18195612
[1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 4-(acetamidomethyl)benzoate
CID 46819034
[(2R)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 4-(trifluoromethoxy)benzoate
CID 8958469
[1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 4-methyl-3-nitrobenzoate
CID 46622969
[(2S)-1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 2-hydroxybenzoate
CID 41197894
[1-(tert-butylamino)-1-oxopropan-2-yl] 4-[[(2,3,4-trifluorophenyl)sulfonylamino]methyl]benzoate
CID 43015212
[(2S)-1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 4-(difluoromethoxy)-3-ethoxybenzoate
CID 8576332
[1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 4-chloro-3-sulfamoylbenzoate
CID 43014286
[1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 2-benzyl-1,3-dioxoisoindole-5-carboxylate
CID 46623785

Frequently Asked Questions

What is the IUPAC name of [1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 4-(acetamidomethyl)benzoate?
The IUPAC name of [1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 4-(acetamidomethyl)benzoate (CID 18092248) is [1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 4-(acetamidomethyl)benzoate.
What is the SMILES notation for [1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 4-(acetamidomethyl)benzoate?
The canonical SMILES for [1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 4-(acetamidomethyl)benzoate is CC(=O)NCc1ccc(C(=O)OC(C)C(=O)NC(=O)NC(C)(C)C)cc1.
What is the InChIKey of [1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 4-(acetamidomethyl)benzoate?
The InChIKey is WNEFVMZAALBHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O5/c1-11(15(23)20-17(25)21-18(3,4)5)26-16(24)14-8-6-13(7-9-14)10-19-12(2)22/h6-9,11H,10H2,1-5H3,(H,19,22)(H2,20,21,23,25).
What are the key properties of [1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 4-(acetamidomethyl)benzoate?
[1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 4-(acetamidomethyl)benzoate has a molecular weight of 363.41 g/mol, XLogP of 1.49, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 4-(acetamidomethyl)benzoate is sourced from PubChem (CID 18092248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).