[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-benzamido-3-methylbutanoate

C19H27N3O5 — CID 55315761

IUPAC[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-benzamido-3-methylbutanoate
SMILESCC(C)C(NC(=O)c1ccccc1)C(=O)OCC(=O)NC(=O)NC(C)(C)C
InChIInChI=1S/C19H27N3O5/c1-12(2)15(21-16(24)13-9-7-6-8-10-13)17(25)27-11-14(23)20-18(26)22-19(3,4)5/h6-10,12,15H,11H2,1-5H3,(H,21,24)(H2,20,22,23,26)
InChIKeyOELQUYKXPVQZRX-UHFFFAOYSA-N
MW377.44 g/mol
LogP1.61
Rot. Bonds6

About [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-benzamido-3-methylbutanoate

[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-benzamido-3-methylbutanoate (PubChem CID 55315761) has the molecular formula C19H27N3O5 and a molecular weight of 377.44 g/mol. Its IUPAC name is [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-benzamido-3-methylbutanoate.

Molecular Properties

Compound Name[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-benzamido-3-methylbutanoate
PubChem CID55315761
Molecular FormulaC19H27N3O5
Molecular Weight377.44 g/mol
Exact Mass377.20
IUPAC Name[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-benzamido-3-methylbutanoate
SMILESCC(C)C(NC(=O)c1ccccc1)C(=O)OCC(=O)NC(=O)NC(C)(C)C
InChIInChI=1S/C19H27N3O5/c1-12(2)15(21-16(24)13-9-7-6-8-10-13)17(25)27-11-14(23)20-18(26)22-19(3,4)5/h6-10,12,15H,11H2,1-5H3,(H,21,24)(H2,20,22,23,26)
InChIKeyOELQUYKXPVQZRX-UHFFFAOYSA-N
XLogP1.61
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(tert-butylamino)-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate
CID 2582731
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] (2R)-2-benzamido-3-methylbutanoate
CID 2582658
[2-(tert-butylcarbamoylamino)-2-oxoethyl] (2R)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 2470214
[2-(tert-butylamino)-2-oxoethyl] (2S)-2-[(4-fluorobenzoyl)amino]-3-methylbutanoate
CID 9491978
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] (2S)-2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoate
CID 7565016
[2-(ethylamino)-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate
CID 2582740
[2-(tert-butylcarbamoylamino)-2-oxoethyl] (2S)-2-[(3-methylbenzoyl)amino]propanoate
CID 8885264
[2-oxo-2-(propylcarbamoylamino)ethyl] 2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoate
CID 3691714
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-benzamido-3-methylbutanoate
CID 55315824
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] (2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoate
CID 7568540
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate
CID 2582782
benzyl (2S)-2-benzamido-3-methylbutanoate
CID 689908

Frequently Asked Questions

What is the IUPAC name of [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-benzamido-3-methylbutanoate?
The IUPAC name of [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-benzamido-3-methylbutanoate (CID 55315761) is [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-benzamido-3-methylbutanoate.
What is the SMILES notation for [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-benzamido-3-methylbutanoate?
The canonical SMILES for [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-benzamido-3-methylbutanoate is CC(C)C(NC(=O)c1ccccc1)C(=O)OCC(=O)NC(=O)NC(C)(C)C.
What is the InChIKey of [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-benzamido-3-methylbutanoate?
The InChIKey is OELQUYKXPVQZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O5/c1-12(2)15(21-16(24)13-9-7-6-8-10-13)17(25)27-11-14(23)20-18(26)22-19(3,4)5/h6-10,12,15H,11H2,1-5H3,(H,21,24)(H2,20,22,23,26).
What are the key properties of [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-benzamido-3-methylbutanoate?
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-benzamido-3-methylbutanoate has a molecular weight of 377.44 g/mol, XLogP of 1.61, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-benzamido-3-methylbutanoate is sourced from PubChem (CID 55315761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).