ethyl 4-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]butanoate

C16H24N2O3 — CID 60671815

IUPACethyl 4-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]butanoate
SMILESCCOC(=O)CCCNCC(=O)N(C)Cc1ccccc1
InChIInChI=1S/C16H24N2O3/c1-3-21-16(20)10-7-11-17-12-15(19)18(2)13-14-8-5-4-6-9-14/h4-6,8-9,17H,3,7,10-13H2,1-2H3
InChIKeyWFMQVDZXJHZREN-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.58
Rot. Bonds9

About ethyl 4-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]butanoate

ethyl 4-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]butanoate (PubChem CID 60671815) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is ethyl 4-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]butanoate.

Molecular Properties

Compound Nameethyl 4-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]butanoate
PubChem CID60671815
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Nameethyl 4-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]butanoate
SMILESCCOC(=O)CCCNCC(=O)N(C)Cc1ccccc1
InChIInChI=1S/C16H24N2O3/c1-3-21-16(20)10-7-11-17-12-15(19)18(2)13-14-8-5-4-6-9-14/h4-6,8-9,17H,3,7,10-13H2,1-2H3
InChIKeyWFMQVDZXJHZREN-UHFFFAOYSA-N
XLogP1.58
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 54816784
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N-benzyl-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914952
N-benzyl-N-methyl-4-(methylamino)butanamide
CID 60842037
ethyl 3-[3-(N-methylanilino)propylamino]propanoate
CID 43242647
N-benzyl-N-methyl-3-(propylamino)propanamide
CID 109011497
ethyl 2-[[2-[benzyl-[2-[benzyl-[2-[(2-ethoxy-2-oxoethyl)amino]acetyl]amino]ethyl]amino]-2-oxoethyl]amino]acetate
CID 10768459
N,N'-dibenzyl-N,N'-dimethylpropanediamide
CID 2392235
N-benzyl-2-formamido-N-methylacetamide
CID 18618309
N-benzyl-N-methylpentanamide
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ethyl 7-[benzyl(chloro)amino]heptanoate
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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]butanoate?
The IUPAC name of ethyl 4-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]butanoate (CID 60671815) is ethyl 4-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]butanoate.
What is the SMILES notation for ethyl 4-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]butanoate?
The canonical SMILES for ethyl 4-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]butanoate is CCOC(=O)CCCNCC(=O)N(C)Cc1ccccc1.
What is the InChIKey of ethyl 4-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]butanoate?
The InChIKey is WFMQVDZXJHZREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-3-21-16(20)10-7-11-17-12-15(19)18(2)13-14-8-5-4-6-9-14/h4-6,8-9,17H,3,7,10-13H2,1-2H3.
What are the key properties of ethyl 4-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]butanoate?
ethyl 4-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]butanoate has a molecular weight of 292.38 g/mol, XLogP of 1.58, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]butanoate is sourced from PubChem (CID 60671815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).