[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate

C18H26N2O7 — CID 7899329

IUPAC[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate
SMILESCC[C@H](C)NC(=O)COC(=O)CNC(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C18H26N2O7/c1-6-11(2)20-15(21)10-27-16(22)9-19-18(23)12-7-13(24-3)17(26-5)14(8-12)25-4/h7-8,11H,6,9-10H2,1-5H3,(H,19,23)(H,20,21)/t11-/m0/s1
InChIKeyDJKUSXOYYLARFU-NSHDSACASA-N
MW382.41 g/mol
LogP0.90
Rot. Bonds10

About [2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate

[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate (PubChem CID 7899329) has the molecular formula C18H26N2O7 and a molecular weight of 382.41 g/mol. Its IUPAC name is [2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate
PubChem CID7899329
Molecular FormulaC18H26N2O7
Molecular Weight382.41 g/mol
Exact Mass382.17
IUPAC Name[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate
SMILESCC[C@H](C)NC(=O)COC(=O)CNC(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C18H26N2O7/c1-6-11(2)20-15(21)10-27-16(22)9-19-18(23)12-7-13(24-3)17(26-5)14(8-12)25-4/h7-8,11H,6,9-10H2,1-5H3,(H,19,23)(H,20,21)/t11-/m0/s1
InChIKeyDJKUSXOYYLARFU-NSHDSACASA-N
XLogP0.90
TPSA112.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.41
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate with MolForge

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Related Compounds

[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate
CID 7899328
2-propan-2-yloxyethyl 2-[(3,4,5-trimethoxybenzoyl)amino]acetate
CID 55356834
(3,3-dimethyl-2-oxobutyl) 2-[(3,4,5-trimethoxybenzoyl)amino]acetate
CID 40589265
[2-(3,5-dimethylanilino)-2-oxoethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate
CID 55320187
[2-(4-chloroanilino)-2-oxoethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate
CID 3623294
[2-oxo-2-(pentan-2-ylamino)ethyl] 3,4,5-trimethoxybenzoate
CID 18074008
[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate
CID 5175769
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 2547924
[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 2547921
4-[2-(butan-2-ylamino)-2-oxoethoxy]-3-chloro-5-methoxybenzoic acid
CID 43114925
[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 8013820
[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-[[4-(propan-2-ylsulfamoyl)benzoyl]amino]acetate
CID 7979598

Frequently Asked Questions

What is the IUPAC name of [2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate?
The IUPAC name of [2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate (CID 7899329) is [2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate.
What is the SMILES notation for [2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate?
The canonical SMILES for [2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate is CC[C@H](C)NC(=O)COC(=O)CNC(=O)c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of [2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate?
The InChIKey is DJKUSXOYYLARFU-NSHDSACASA-N. The full InChI is InChI=1S/C18H26N2O7/c1-6-11(2)20-15(21)10-27-16(22)9-19-18(23)12-7-13(24-3)17(26-5)14(8-12)25-4/h7-8,11H,6,9-10H2,1-5H3,(H,19,23)(H,20,21)/t11-/m0/s1.
What are the key properties of [2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate?
[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate has a molecular weight of 382.41 g/mol, XLogP of 0.90, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate is sourced from PubChem (CID 7899329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).