[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 3,4,5-triethoxybenzoate

C19H29NO6 — CID 7860383

IUPAC[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 3,4,5-triethoxybenzoate
SMILESCCOc1cc(C(=O)OCC(=O)N[C@H](C)CC)cc(OCC)c1OCC
InChIInChI=1S/C19H29NO6/c1-6-13(5)20-17(21)12-26-19(22)14-10-15(23-7-2)18(25-9-4)16(11-14)24-8-3/h10-11,13H,6-9,12H2,1-5H3,(H,20,21)/t13-/m1/s1
InChIKeyINQBHNVRSFQCNR-CYBMUJFWSA-N
MW367.44 g/mol
LogP2.95
Rot. Bonds11

About [2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 3,4,5-triethoxybenzoate

[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 3,4,5-triethoxybenzoate (PubChem CID 7860383) has the molecular formula C19H29NO6 and a molecular weight of 367.44 g/mol. Its IUPAC name is [2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 3,4,5-triethoxybenzoate.

Molecular Properties

Compound Name[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 3,4,5-triethoxybenzoate
PubChem CID7860383
Molecular FormulaC19H29NO6
Molecular Weight367.44 g/mol
Exact Mass367.20
IUPAC Name[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 3,4,5-triethoxybenzoate
SMILESCCOc1cc(C(=O)OCC(=O)N[C@H](C)CC)cc(OCC)c1OCC
InChIInChI=1S/C19H29NO6/c1-6-13(5)20-17(21)12-26-19(22)14-10-15(23-7-2)18(25-9-4)16(11-14)24-8-3/h10-11,13H,6-9,12H2,1-5H3,(H,20,21)/t13-/m1/s1
InChIKeyINQBHNVRSFQCNR-CYBMUJFWSA-N
XLogP2.95
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.44
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(butan-2-ylamino)-2-oxoethyl] 3,5-diaminobenzoate
CID 61320645
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3,4,5-triethoxybenzoate
CID 7860421
[2-(ethylamino)-2-oxoethyl] 3,4,5-triethoxybenzoate
CID 2505134
N-[(2S)-butan-2-yl]-3,4,5-triethoxybenzamide
CID 876684
(2-amino-2-oxoethyl) 3,4,5-triethoxybenzoate
CID 2363630
[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 4-ethoxy-3-nitrobenzoate
CID 9388457
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 3,4,5-triethoxybenzoate
CID 40823928
4-O-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 7296484
[2-oxo-2-(pentan-2-ylamino)ethyl] 3,4,5-trimethoxybenzoate
CID 18074008
[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 3,4-dimethylbenzoate
CID 2563385
[2-(butan-2-ylamino)-2-oxoethyl] 3-amino-4,5-dichlorobenzoate
CID 61320652
[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] quinoxaline-6-carboxylate
CID 7676763

Frequently Asked Questions

What is the IUPAC name of [2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 3,4,5-triethoxybenzoate?
The IUPAC name of [2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 3,4,5-triethoxybenzoate (CID 7860383) is [2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 3,4,5-triethoxybenzoate.
What is the SMILES notation for [2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 3,4,5-triethoxybenzoate?
The canonical SMILES for [2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 3,4,5-triethoxybenzoate is CCOc1cc(C(=O)OCC(=O)N[C@H](C)CC)cc(OCC)c1OCC.
What is the InChIKey of [2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 3,4,5-triethoxybenzoate?
The InChIKey is INQBHNVRSFQCNR-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H29NO6/c1-6-13(5)20-17(21)12-26-19(22)14-10-15(23-7-2)18(25-9-4)16(11-14)24-8-3/h10-11,13H,6-9,12H2,1-5H3,(H,20,21)/t13-/m1/s1.
What are the key properties of [2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 3,4,5-triethoxybenzoate?
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 3,4,5-triethoxybenzoate has a molecular weight of 367.44 g/mol, XLogP of 2.95, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 3,4,5-triethoxybenzoate is sourced from PubChem (CID 7860383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).