ethyl 2-[[2-(benzylamino)-2-oxoethyl]amino]butanoate

C15H22N2O3 — CID 64669138

IUPACethyl 2-[[2-(benzylamino)-2-oxoethyl]amino]butanoate
SMILESCCOC(=O)C(CC)NCC(=O)NCc1ccccc1
InChIInChI=1S/C15H22N2O3/c1-3-13(15(19)20-4-2)16-11-14(18)17-10-12-8-6-5-7-9-12/h5-9,13,16H,3-4,10-11H2,1-2H3,(H,17,18)
InChIKeyYPVRYINOYQNJIQ-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.23
Rot. Bonds8

About ethyl 2-[[2-(benzylamino)-2-oxoethyl]amino]butanoate

ethyl 2-[[2-(benzylamino)-2-oxoethyl]amino]butanoate (PubChem CID 64669138) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is ethyl 2-[[2-(benzylamino)-2-oxoethyl]amino]butanoate.

Molecular Properties

Compound Nameethyl 2-[[2-(benzylamino)-2-oxoethyl]amino]butanoate
PubChem CID64669138
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Nameethyl 2-[[2-(benzylamino)-2-oxoethyl]amino]butanoate
SMILESCCOC(=O)C(CC)NCC(=O)NCc1ccccc1
InChIInChI=1S/C15H22N2O3/c1-3-13(15(19)20-4-2)16-11-14(18)17-10-12-8-6-5-7-9-12/h5-9,13,16H,3-4,10-11H2,1-2H3,(H,17,18)
InChIKeyYPVRYINOYQNJIQ-UHFFFAOYSA-N
XLogP1.23
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-(heptan-4-ylamino)acetamide
CID 54881646
benzyl (2S)-2-(benzylamino)butanoate
CID 59758756
diethyl (2S)-2-(benzylamino)butanedioate
CID 124630136
2-[[2-(benzylamino)-2-oxoethyl]amino]propanamide
CID 43545529
N-benzyl-2-[[2-(butan-2-ylamino)-2-oxoethyl]amino]acetamide
CID 60971680
N-benzyl-2-(methoxyamino)acetamide
CID 60702706
benzene;ethyl N-benzylcarbamate
CID 67715166
3-[[2-(benzylamino)-2-oxoethyl]amino]butanoic acid
CID 54881576
ethyl 2-[(3-methylphenyl)methylamino]butanoate
CID 64669137
2-(aminomethyl)-N-[2-(benzylamino)-2-oxoethyl]pentanamide
CID 65227019
deuteriomethyl 2-(benzylamino)butanoate
CID 170776143
ethyl 4-phenyl-2-(propylamino)butanoate
CID 62880935

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(benzylamino)-2-oxoethyl]amino]butanoate?
The IUPAC name of ethyl 2-[[2-(benzylamino)-2-oxoethyl]amino]butanoate (CID 64669138) is ethyl 2-[[2-(benzylamino)-2-oxoethyl]amino]butanoate.
What is the SMILES notation for ethyl 2-[[2-(benzylamino)-2-oxoethyl]amino]butanoate?
The canonical SMILES for ethyl 2-[[2-(benzylamino)-2-oxoethyl]amino]butanoate is CCOC(=O)C(CC)NCC(=O)NCc1ccccc1.
What is the InChIKey of ethyl 2-[[2-(benzylamino)-2-oxoethyl]amino]butanoate?
The InChIKey is YPVRYINOYQNJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-3-13(15(19)20-4-2)16-11-14(18)17-10-12-8-6-5-7-9-12/h5-9,13,16H,3-4,10-11H2,1-2H3,(H,17,18).
What are the key properties of ethyl 2-[[2-(benzylamino)-2-oxoethyl]amino]butanoate?
ethyl 2-[[2-(benzylamino)-2-oxoethyl]amino]butanoate has a molecular weight of 278.35 g/mol, XLogP of 1.23, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(benzylamino)-2-oxoethyl]amino]butanoate is sourced from PubChem (CID 64669138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).