2-[[2-[benzyl(ethyl)amino]-2-oxoethyl]-methylamino]acetamide

C14H21N3O2 — CID 56815139

IUPAC2-[[2-[benzyl(ethyl)amino]-2-oxoethyl]-methylamino]acetamide
SMILESCCN(Cc1ccccc1)C(=O)CN(C)CC(N)=O
InChIInChI=1S/C14H21N3O2/c1-3-17(9-12-7-5-4-6-8-12)14(19)11-16(2)10-13(15)18/h4-8H,3,9-11H2,1-2H3,(H2,15,18)
InChIKeyTWASCLODKKNJQR-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.45
Rot. Bonds7

About 2-[[2-[benzyl(ethyl)amino]-2-oxoethyl]-methylamino]acetamide

2-[[2-[benzyl(ethyl)amino]-2-oxoethyl]-methylamino]acetamide (PubChem CID 56815139) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[[2-[benzyl(ethyl)amino]-2-oxoethyl]-methylamino]acetamide.

Molecular Properties

Compound Name2-[[2-[benzyl(ethyl)amino]-2-oxoethyl]-methylamino]acetamide
PubChem CID56815139
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-[[2-[benzyl(ethyl)amino]-2-oxoethyl]-methylamino]acetamide
SMILESCCN(Cc1ccccc1)C(=O)CN(C)CC(N)=O
InChIInChI=1S/C14H21N3O2/c1-3-17(9-12-7-5-4-6-8-12)14(19)11-16(2)10-13(15)18/h4-8H,3,9-11H2,1-2H3,(H2,15,18)
InChIKeyTWASCLODKKNJQR-UHFFFAOYSA-N
XLogP0.45
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N'-dibenzyl-N,N'-diethylpropanediamide
CID 2392254
N-benzyl-N-ethyl-2-[(2-hydroxycyclopentyl)methyl-methylamino]acetamide
CID 109398007
N-benzyl-N-ethyl-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide
CID 119915195
N-benzyl-2-(dipropylamino)-N-ethylacetamide
CID 108998990
N,N'-dibenzyl-N,N'-diethylpentanediamide
CID 68902262
N-benzyl-N-ethyl-2-[ethyl(2-hydroxyethyl)amino]acetamide
CID 60685771
N,N'-dibenzyl-N,N'-diethyloxamide
CID 3417048
4-[benzyl(ethyl)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 65297707
2-[[2-[benzyl(ethyl)amino]-2-oxoethyl]-propan-2-ylamino]acetic acid
CID 60839143
1-benzyl-1,3-diethyl-3-methylurea
CID 116654057
N-benzyl-N-ethyl-N',N'-dipropylpropanediamide
CID 108947326
N-benzyl-2-cyano-N-ethylacetamide
CID 28983811

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[benzyl(ethyl)amino]-2-oxoethyl]-methylamino]acetamide?
The IUPAC name of 2-[[2-[benzyl(ethyl)amino]-2-oxoethyl]-methylamino]acetamide (CID 56815139) is 2-[[2-[benzyl(ethyl)amino]-2-oxoethyl]-methylamino]acetamide.
What is the SMILES notation for 2-[[2-[benzyl(ethyl)amino]-2-oxoethyl]-methylamino]acetamide?
The canonical SMILES for 2-[[2-[benzyl(ethyl)amino]-2-oxoethyl]-methylamino]acetamide is CCN(Cc1ccccc1)C(=O)CN(C)CC(N)=O.
What is the InChIKey of 2-[[2-[benzyl(ethyl)amino]-2-oxoethyl]-methylamino]acetamide?
The InChIKey is TWASCLODKKNJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-3-17(9-12-7-5-4-6-8-12)14(19)11-16(2)10-13(15)18/h4-8H,3,9-11H2,1-2H3,(H2,15,18).
What are the key properties of 2-[[2-[benzyl(ethyl)amino]-2-oxoethyl]-methylamino]acetamide?
2-[[2-[benzyl(ethyl)amino]-2-oxoethyl]-methylamino]acetamide has a molecular weight of 263.34 g/mol, XLogP of 0.45, 7 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]-methylamino]acetamide is sourced from PubChem (CID 56815139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).