[2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate

C17H23N3O6 — CID 8842013

IUPAC[2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate
SMILESCCNC(=O)[C@@H](C)NC(=O)COC(=O)CNC(=O)c1ccccc1OC
InChIInChI=1S/C17H23N3O6/c1-4-18-16(23)11(2)20-14(21)10-26-15(22)9-19-17(24)12-7-5-6-8-13(12)25-3/h5-8,11H,4,9-10H2,1-3H3,(H,18,23)(H,19,24)(H,20,21)/t11-/m1/s1
InChIKeyWPGDVNCTFFMOCQ-LLVKDONJSA-N
MW365.39 g/mol
LogP-0.39
Rot. Bonds9

About [2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate

[2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate (PubChem CID 8842013) has the molecular formula C17H23N3O6 and a molecular weight of 365.39 g/mol. Its IUPAC name is [2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate
PubChem CID8842013
Molecular FormulaC17H23N3O6
Molecular Weight365.39 g/mol
Exact Mass365.16
IUPAC Name[2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate
SMILESCCNC(=O)[C@@H](C)NC(=O)COC(=O)CNC(=O)c1ccccc1OC
InChIInChI=1S/C17H23N3O6/c1-4-18-16(23)11(2)20-14(21)10-26-15(22)9-19-17(24)12-7-5-6-8-13(12)25-3/h5-8,11H,4,9-10H2,1-3H3,(H,18,23)(H,19,24)(H,20,21)/t11-/m1/s1
InChIKeyWPGDVNCTFFMOCQ-LLVKDONJSA-N
XLogP-0.39
TPSA122.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate with MolForge

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Related Compounds

[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate
CID 55365939
[2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] 2-[(2-methoxybenzoyl)amino]acetate
CID 7522196
(2S)-N-ethyl-2-[[2-(2-methoxyphenoxy)acetyl]amino]propanamide
CID 8750931
N-[2-(ethylamino)-2-oxoethyl]-2-methoxybenzamide
CID 2687892
[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate
CID 8841979
[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 2547921
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 2547924
[2-[(2-cyano-3-methylbutan-2-yl)amino]-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate
CID 42902859
(2R)-N-ethyl-2-[[2-(2-methoxyphenyl)acetyl]amino]propanamide
CID 8751746
[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 7807753
[2-oxo-2-(pentan-3-ylamino)ethyl] 3-[(2-methoxybenzoyl)amino]propanoate
CID 7827573
[2-(2-methoxyanilino)-2-oxoethyl] 2-[[2-(difluoromethoxy)benzoyl]amino]acetate
CID 7771051

Frequently Asked Questions

What is the IUPAC name of [2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate?
The IUPAC name of [2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate (CID 8842013) is [2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate.
What is the SMILES notation for [2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate?
The canonical SMILES for [2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate is CCNC(=O)[C@@H](C)NC(=O)COC(=O)CNC(=O)c1ccccc1OC.
What is the InChIKey of [2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate?
The InChIKey is WPGDVNCTFFMOCQ-LLVKDONJSA-N. The full InChI is InChI=1S/C17H23N3O6/c1-4-18-16(23)11(2)20-14(21)10-26-15(22)9-19-17(24)12-7-5-6-8-13(12)25-3/h5-8,11H,4,9-10H2,1-3H3,(H,18,23)(H,19,24)(H,20,21)/t11-/m1/s1.
What are the key properties of [2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate?
[2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate has a molecular weight of 365.39 g/mol, XLogP of -0.39, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate is sourced from PubChem (CID 8842013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).