[2-(ethylamino)-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate

C16H22N2O4 — CID 2582740

IUPAC[2-(ethylamino)-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate
SMILESCCNC(=O)COC(=O)[C@@H](NC(=O)c1ccccc1)C(C)C
InChIInChI=1S/C16H22N2O4/c1-4-17-13(19)10-22-16(21)14(11(2)3)18-15(20)12-8-6-5-7-9-12/h5-9,11,14H,4,10H2,1-3H3,(H,17,19)(H,18,20)/t14-/m0/s1
InChIKeyCJXBDPACQBXXDY-AWEZNQCLSA-N
MW306.36 g/mol
LogP1.12
Rot. Bonds7

About [2-(ethylamino)-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate

[2-(ethylamino)-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate (PubChem CID 2582740) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is [2-(ethylamino)-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate.

Molecular Properties

Compound Name[2-(ethylamino)-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate
PubChem CID2582740
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name[2-(ethylamino)-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate
SMILESCCNC(=O)COC(=O)[C@@H](NC(=O)c1ccccc1)C(C)C
InChIInChI=1S/C16H22N2O4/c1-4-17-13(19)10-22-16(21)14(11(2)3)18-15(20)12-8-6-5-7-9-12/h5-9,11,14H,4,10H2,1-3H3,(H,17,19)(H,18,20)/t14-/m0/s1
InChIKeyCJXBDPACQBXXDY-AWEZNQCLSA-N
XLogP1.12
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(4-methylphenyl)methylamino]-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate
CID 2582782
[2-(tert-butylamino)-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate
CID 2582731
[2-(cyclohexylmethylamino)-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate
CID 55925687
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] (2R)-2-benzamido-3-methylbutanoate
CID 2582658
[2-(ethylamino)-2-oxoethyl] (2R)-2-benzamido-3-phenylpropanoate
CID 2582560
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-benzamido-3-methylbutanoate
CID 55315761
[2-(4-ethylphenyl)-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate
CID 2582687
benzyl (2S)-2-benzamido-3-methylbutanoate
CID 689908
[2-(3,5-dimethoxyanilino)-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate
CID 2583030
[2-oxo-2-(2-phenylethylamino)ethyl] 3-methyl-2-[(3-methylbenzoyl)amino]butanoate
CID 55305966
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-benzamido-3-methylbutanoate
CID 55315824
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate
CID 2582612

Frequently Asked Questions

What is the IUPAC name of [2-(ethylamino)-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate?
The IUPAC name of [2-(ethylamino)-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate (CID 2582740) is [2-(ethylamino)-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate.
What is the SMILES notation for [2-(ethylamino)-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate?
The canonical SMILES for [2-(ethylamino)-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate is CCNC(=O)COC(=O)[C@@H](NC(=O)c1ccccc1)C(C)C.
What is the InChIKey of [2-(ethylamino)-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate?
The InChIKey is CJXBDPACQBXXDY-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-4-17-13(19)10-22-16(21)14(11(2)3)18-15(20)12-8-6-5-7-9-12/h5-9,11,14H,4,10H2,1-3H3,(H,17,19)(H,18,20)/t14-/m0/s1.
What are the key properties of [2-(ethylamino)-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate?
[2-(ethylamino)-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate has a molecular weight of 306.36 g/mol, XLogP of 1.12, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylamino)-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate is sourced from PubChem (CID 2582740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).