2-[[2-[benzyl(ethyl)amino]-2-oxoethyl]-propan-2-ylamino]acetic acid

C16H24N2O3 — CID 60839143

IUPAC2-[[2-[benzyl(ethyl)amino]-2-oxoethyl]-propan-2-ylamino]acetic acid
SMILESCCN(Cc1ccccc1)C(=O)CN(CC(=O)O)C(C)C
InChIInChI=1S/C16H24N2O3/c1-4-17(10-14-8-6-5-7-9-14)15(19)11-18(13(2)3)12-16(20)21/h5-9,13H,4,10-12H2,1-3H3,(H,20,21)
InChIKeyPVZUCTZTQLRXES-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.83
Rot. Bonds8

About 2-[[2-[benzyl(ethyl)amino]-2-oxoethyl]-propan-2-ylamino]acetic acid

2-[[2-[benzyl(ethyl)amino]-2-oxoethyl]-propan-2-ylamino]acetic acid (PubChem CID 60839143) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[[2-[benzyl(ethyl)amino]-2-oxoethyl]-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-[benzyl(ethyl)amino]-2-oxoethyl]-propan-2-ylamino]acetic acid
PubChem CID60839143
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-[[2-[benzyl(ethyl)amino]-2-oxoethyl]-propan-2-ylamino]acetic acid
SMILESCCN(Cc1ccccc1)C(=O)CN(CC(=O)O)C(C)C
InChIInChI=1S/C16H24N2O3/c1-4-17(10-14-8-6-5-7-9-14)15(19)11-18(13(2)3)12-16(20)21/h5-9,13H,4,10-12H2,1-3H3,(H,20,21)
InChIKeyPVZUCTZTQLRXES-UHFFFAOYSA-N
XLogP1.83
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[(5-bromothiophen-2-yl)methyl-ethylamino]-2-oxoethyl]-propan-2-ylamino]acetic acid
CID 60838307
N,N'-dibenzyl-N,N'-diethylpropanediamide
CID 2392254
N-benzyl-2-[cyclopentyl(propan-2-yl)amino]-N-ethylacetamide
CID 56570177
N-benzyl-2-(dipropylamino)-N-ethylacetamide
CID 108998990
N,N'-dibenzyl-N,N'-diethylpentanediamide
CID 68902262
N'-benzyl-N'-ethyl-N-propan-2-ylpropanediamide
CID 108940808
2-[[2-[benzyl(ethyl)amino]-2-oxoethyl]-methylamino]acetamide
CID 56815139
N-benzyl-N-ethyl-2-[ethyl(2-hydroxyethyl)amino]acetamide
CID 60685771
N,N'-dibenzyl-N,N'-diethyloxamide
CID 3417048
N-benzyl-N-ethyl-3-(propan-2-ylamino)propanamide
CID 60854868
N-benzyl-2-bromo-N-ethylpropanamide
CID 82108939
N-benzyl-2-[benzyl(ethyl)amino]-N-propan-2-ylacetamide
CID 108998910

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[benzyl(ethyl)amino]-2-oxoethyl]-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[[2-[benzyl(ethyl)amino]-2-oxoethyl]-propan-2-ylamino]acetic acid (CID 60839143) is 2-[[2-[benzyl(ethyl)amino]-2-oxoethyl]-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[[2-[benzyl(ethyl)amino]-2-oxoethyl]-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[[2-[benzyl(ethyl)amino]-2-oxoethyl]-propan-2-ylamino]acetic acid is CCN(Cc1ccccc1)C(=O)CN(CC(=O)O)C(C)C.
What is the InChIKey of 2-[[2-[benzyl(ethyl)amino]-2-oxoethyl]-propan-2-ylamino]acetic acid?
The InChIKey is PVZUCTZTQLRXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-4-17(10-14-8-6-5-7-9-14)15(19)11-18(13(2)3)12-16(20)21/h5-9,13H,4,10-12H2,1-3H3,(H,20,21).
What are the key properties of 2-[[2-[benzyl(ethyl)amino]-2-oxoethyl]-propan-2-ylamino]acetic acid?
2-[[2-[benzyl(ethyl)amino]-2-oxoethyl]-propan-2-ylamino]acetic acid has a molecular weight of 292.38 g/mol, XLogP of 1.83, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[benzyl(ethyl)amino]-2-oxoethyl]-propan-2-ylamino]acetic acid is sourced from PubChem (CID 60839143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).