methyl 2-[[2-[2-[(4-tert-butylbenzoyl)amino]acetyl]oxyacetyl]amino]-3-methylpentanoate

C22H32N2O6 — CID 18280210

IUPACmethyl 2-[[2-[2-[(4-tert-butylbenzoyl)amino]acetyl]oxyacetyl]amino]-3-methylpentanoate
SMILESCCC(C)C(NC(=O)COC(=O)CNC(=O)c1ccc(C(C)(C)C)cc1)C(=O)OC
InChIInChI=1S/C22H32N2O6/c1-7-14(2)19(21(28)29-6)24-17(25)13-30-18(26)12-23-20(27)15-8-10-16(11-9-15)22(3,4)5/h8-11,14,19H,7,12-13H2,1-6H3,(H,23,27)(H,24,25)
InChIKeyREXMGPIUYOEXQP-UHFFFAOYSA-N
MW420.51 g/mol
LogP1.96
Rot. Bonds9

About methyl 2-[[2-[2-[(4-tert-butylbenzoyl)amino]acetyl]oxyacetyl]amino]-3-methylpentanoate

methyl 2-[[2-[2-[(4-tert-butylbenzoyl)amino]acetyl]oxyacetyl]amino]-3-methylpentanoate (PubChem CID 18280210) has the molecular formula C22H32N2O6 and a molecular weight of 420.51 g/mol. Its IUPAC name is methyl 2-[[2-[2-[(4-tert-butylbenzoyl)amino]acetyl]oxyacetyl]amino]-3-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[[2-[2-[(4-tert-butylbenzoyl)amino]acetyl]oxyacetyl]amino]-3-methylpentanoate
PubChem CID18280210
Molecular FormulaC22H32N2O6
Molecular Weight420.51 g/mol
Exact Mass420.23
IUPAC Namemethyl 2-[[2-[2-[(4-tert-butylbenzoyl)amino]acetyl]oxyacetyl]amino]-3-methylpentanoate
SMILESCCC(C)C(NC(=O)COC(=O)CNC(=O)c1ccc(C(C)(C)C)cc1)C(=O)OC
InChIInChI=1S/C22H32N2O6/c1-7-14(2)19(21(28)29-6)24-17(25)13-30-18(26)12-23-20(27)15-8-10-16(11-9-15)22(3,4)5/h8-11,14,19H,7,12-13H2,1-6H3,(H,23,27)(H,24,25)
InChIKeyREXMGPIUYOEXQP-UHFFFAOYSA-N
XLogP1.96
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[2-[2-[(4-tert-butylbenzoyl)amino]acetyl]oxyacetyl]amino]-3-methylpentanoate with MolForge

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Related Compounds

[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 8920438
[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 9492401
[2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 9492394
methyl 4-methyl-2-[[2-[2-[(4-methylbenzoyl)amino]acetyl]oxyacetyl]amino]pentanoate
CID 46683960
[2-[[(2S,3S)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 4-methylbenzoate
CID 9018193
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
CID 2116305
[2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 8920532
[2-[(2-cyano-3-methylbutan-2-yl)amino]-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 24671340
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate
CID 4785068
[2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 4-chlorobenzoate
CID 18200968
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 7854460
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-benzamidoacetate
CID 7783131

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[2-[(4-tert-butylbenzoyl)amino]acetyl]oxyacetyl]amino]-3-methylpentanoate?
The IUPAC name of methyl 2-[[2-[2-[(4-tert-butylbenzoyl)amino]acetyl]oxyacetyl]amino]-3-methylpentanoate (CID 18280210) is methyl 2-[[2-[2-[(4-tert-butylbenzoyl)amino]acetyl]oxyacetyl]amino]-3-methylpentanoate.
What is the SMILES notation for methyl 2-[[2-[2-[(4-tert-butylbenzoyl)amino]acetyl]oxyacetyl]amino]-3-methylpentanoate?
The canonical SMILES for methyl 2-[[2-[2-[(4-tert-butylbenzoyl)amino]acetyl]oxyacetyl]amino]-3-methylpentanoate is CCC(C)C(NC(=O)COC(=O)CNC(=O)c1ccc(C(C)(C)C)cc1)C(=O)OC.
What is the InChIKey of methyl 2-[[2-[2-[(4-tert-butylbenzoyl)amino]acetyl]oxyacetyl]amino]-3-methylpentanoate?
The InChIKey is REXMGPIUYOEXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O6/c1-7-14(2)19(21(28)29-6)24-17(25)13-30-18(26)12-23-20(27)15-8-10-16(11-9-15)22(3,4)5/h8-11,14,19H,7,12-13H2,1-6H3,(H,23,27)(H,24,25).
What are the key properties of methyl 2-[[2-[2-[(4-tert-butylbenzoyl)amino]acetyl]oxyacetyl]amino]-3-methylpentanoate?
methyl 2-[[2-[2-[(4-tert-butylbenzoyl)amino]acetyl]oxyacetyl]amino]-3-methylpentanoate has a molecular weight of 420.51 g/mol, XLogP of 1.96, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[2-[(4-tert-butylbenzoyl)amino]acetyl]oxyacetyl]amino]-3-methylpentanoate is sourced from PubChem (CID 18280210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).