[2-[[(2R,3R)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 4-propoxybenzoate

C19H27NO6 — CID 8842588

IUPAC[2-[[(2R,3R)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 4-propoxybenzoate
SMILESCCCOc1ccc(C(=O)OCC(=O)NC(C(=O)OC)[C@H](C)CC)cc1
InChIInChI=1S/C19H27NO6/c1-5-11-25-15-9-7-14(8-10-15)18(22)26-12-16(21)20-17(13(3)6-2)19(23)24-4/h7-10,13,17H,5-6,11-12H2,1-4H3,(H,20,21)/t13-,17?/m1/s1
InChIKeyQGKXRPXLEMCHPA-FWJOYPJLSA-N
MW365.43 g/mol
LogP2.34
Rot. Bonds10

About [2-[[(2R,3R)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 4-propoxybenzoate

[2-[[(2R,3R)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 4-propoxybenzoate (PubChem CID 8842588) has the molecular formula C19H27NO6 and a molecular weight of 365.43 g/mol. Its IUPAC name is [2-[[(2R,3R)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 4-propoxybenzoate.

Molecular Properties

Compound Name[2-[[(2R,3R)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 4-propoxybenzoate
PubChem CID8842588
Molecular FormulaC19H27NO6
Molecular Weight365.43 g/mol
Exact Mass365.18
IUPAC Name[2-[[(2R,3R)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 4-propoxybenzoate
SMILESCCCOc1ccc(C(=O)OCC(=O)NC(C(=O)OC)[C@H](C)CC)cc1
InChIInChI=1S/C19H27NO6/c1-5-11-25-15-9-7-14(8-10-15)18(22)26-12-16(21)20-17(13(3)6-2)19(23)24-4/h7-10,13,17H,5-6,11-12H2,1-4H3,(H,20,21)/t13-,17?/m1/s1
InChIKeyQGKXRPXLEMCHPA-FWJOYPJLSA-N
XLogP2.34
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[[(2R,3R)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 4-propoxybenzoate with MolForge

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Launch Full Analysis

Related Compounds

[2-[[(2S,3S)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 4-methylbenzoate
CID 9018193
[2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 4-chlorobenzoate
CID 18200968
[2-[[(2R,3S)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 4-acetamidobenzoate
CID 9015974
[2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 3,4-dimethylbenzoate
CID 18201287
[2-[[(2S,3S)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 3-fluoro-4-methylbenzoate
CID 9387151
[2-[[(2S,3R)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 6-chloropyridine-3-carboxylate
CID 9201670
methyl 2-[[2-(4-iodophenoxy)acetyl]amino]-3-methylpentanoate
CID 112791594
[2-[[(2S,3R)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 3,4,5-trimethoxybenzoate
CID 9201445
[2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] furan-3-carboxylate
CID 18102825
[2-[1-(4-methylphenyl)ethylamino]-2-oxoethyl] 4-butoxybenzoate
CID 50929534
methyl (2R,3S)-2-[[2-[2-(4-chlorophenoxy)acetyl]oxyacetyl]amino]-3-methylpentanoate
CID 9229423
[2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 3-chlorobenzoate
CID 18201042

Frequently Asked Questions

What is the IUPAC name of [2-[[(2R,3R)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 4-propoxybenzoate?
The IUPAC name of [2-[[(2R,3R)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 4-propoxybenzoate (CID 8842588) is [2-[[(2R,3R)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 4-propoxybenzoate.
What is the SMILES notation for [2-[[(2R,3R)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 4-propoxybenzoate?
The canonical SMILES for [2-[[(2R,3R)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 4-propoxybenzoate is CCCOc1ccc(C(=O)OCC(=O)NC(C(=O)OC)[C@H](C)CC)cc1.
What is the InChIKey of [2-[[(2R,3R)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 4-propoxybenzoate?
The InChIKey is QGKXRPXLEMCHPA-FWJOYPJLSA-N. The full InChI is InChI=1S/C19H27NO6/c1-5-11-25-15-9-7-14(8-10-15)18(22)26-12-16(21)20-17(13(3)6-2)19(23)24-4/h7-10,13,17H,5-6,11-12H2,1-4H3,(H,20,21)/t13-,17?/m1/s1.
What are the key properties of [2-[[(2R,3R)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 4-propoxybenzoate?
[2-[[(2R,3R)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 4-propoxybenzoate has a molecular weight of 365.43 g/mol, XLogP of 2.34, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(2R,3R)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 4-propoxybenzoate is sourced from PubChem (CID 8842588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).