ethyl 2-[[2-[acetyl(benzyl)amino]-3-methylbutanoyl]amino]acetate

C18H26N2O4 — CID 10131750

IUPACethyl 2-[[2-[acetyl(benzyl)amino]-3-methylbutanoyl]amino]acetate
SMILESCCOC(=O)CNC(=O)C(C(C)C)N(Cc1ccccc1)C(C)=O
InChIInChI=1S/C18H26N2O4/c1-5-24-16(22)11-19-18(23)17(13(2)3)20(14(4)21)12-15-9-7-6-8-10-15/h6-10,13,17H,5,11-12H2,1-4H3,(H,19,23)
InChIKeyYDSHTCCZTUSFOK-UHFFFAOYSA-N
MW334.42 g/mol
LogP1.74
Rot. Bonds8

About ethyl 2-[[2-[acetyl(benzyl)amino]-3-methylbutanoyl]amino]acetate

ethyl 2-[[2-[acetyl(benzyl)amino]-3-methylbutanoyl]amino]acetate (PubChem CID 10131750) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is ethyl 2-[[2-[acetyl(benzyl)amino]-3-methylbutanoyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-[acetyl(benzyl)amino]-3-methylbutanoyl]amino]acetate
PubChem CID10131750
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Nameethyl 2-[[2-[acetyl(benzyl)amino]-3-methylbutanoyl]amino]acetate
SMILESCCOC(=O)CNC(=O)C(C(C)C)N(Cc1ccccc1)C(C)=O
InChIInChI=1S/C18H26N2O4/c1-5-24-16(22)11-19-18(23)17(13(2)3)20(14(4)21)12-15-9-7-6-8-10-15/h6-10,13,17H,5,11-12H2,1-4H3,(H,19,23)
InChIKeyYDSHTCCZTUSFOK-UHFFFAOYSA-N
XLogP1.74
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

acetic acid;ethyl 2-[[2-[benzyl-(2-diethoxyphosphorylacetyl)amino]-3-methylbutanoyl]amino]acetate
CID 87516038
N-benzyl-N-[1-(benzylamino)-3-methyl-1-sulfanylidenebutan-2-yl]acetamide
CID 2771455
ethyl 2-[[amino(benzyl)carbamoyl]amino]acetate
CID 13133641
ethyl 2-[[(2S)-3-methyl-2-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoyl]amino]acetate
CID 57414580
methyl (2S)-2-[acetyl(benzyl)amino]propanoate
CID 75437880
N-benzyl-N-propan-2-ylacetamide
CID 23534449
ethyl 3-[benzyl-(2-methoxy-2-oxoethyl)amino]butanoate
CID 18379207
N-benzyl-N-(1-hydroxyethyl)acetamide
CID 54542101
ethyl 2-[[2-[2-(phenylmethoxycarbonylamino)propanoylamino]acetyl]amino]acetate
CID 23278167
2-[acetyl(benzyl)amino]-N-pentyl-2-phenylacetamide
CID 133237048
2-[[2-[acetyl(benzyl)amino]-3-methylbutanoyl]-acetyloxyamino]acetic acid
CID 87516611
ethyl 2-[benzyl-(2-ethoxy-2-oxoethyl)amino]acetate
CID 5235503

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[acetyl(benzyl)amino]-3-methylbutanoyl]amino]acetate?
The IUPAC name of ethyl 2-[[2-[acetyl(benzyl)amino]-3-methylbutanoyl]amino]acetate (CID 10131750) is ethyl 2-[[2-[acetyl(benzyl)amino]-3-methylbutanoyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-[acetyl(benzyl)amino]-3-methylbutanoyl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-[acetyl(benzyl)amino]-3-methylbutanoyl]amino]acetate is CCOC(=O)CNC(=O)C(C(C)C)N(Cc1ccccc1)C(C)=O.
What is the InChIKey of ethyl 2-[[2-[acetyl(benzyl)amino]-3-methylbutanoyl]amino]acetate?
The InChIKey is YDSHTCCZTUSFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-5-24-16(22)11-19-18(23)17(13(2)3)20(14(4)21)12-15-9-7-6-8-10-15/h6-10,13,17H,5,11-12H2,1-4H3,(H,19,23).
What are the key properties of ethyl 2-[[2-[acetyl(benzyl)amino]-3-methylbutanoyl]amino]acetate?
ethyl 2-[[2-[acetyl(benzyl)amino]-3-methylbutanoyl]amino]acetate has a molecular weight of 334.42 g/mol, XLogP of 1.74, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[acetyl(benzyl)amino]-3-methylbutanoyl]amino]acetate is sourced from PubChem (CID 10131750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).