2-[[2-(benzylamino)-2-oxoethyl]amino]-N-ethyl-N-methylpropanamide

C15H23N3O2 — CID 103108505

IUPAC2-[[2-(benzylamino)-2-oxoethyl]amino]-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)NCC(=O)NCc1ccccc1
InChIInChI=1S/C15H23N3O2/c1-4-18(3)15(20)12(2)16-11-14(19)17-10-13-8-6-5-7-9-13/h5-9,12,16H,4,10-11H2,1-3H3,(H,17,19)
InChIKeyRYYOBQPGWPJRHI-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.76
Rot. Bonds7

About 2-[[2-(benzylamino)-2-oxoethyl]amino]-N-ethyl-N-methylpropanamide

2-[[2-(benzylamino)-2-oxoethyl]amino]-N-ethyl-N-methylpropanamide (PubChem CID 103108505) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-[[2-(benzylamino)-2-oxoethyl]amino]-N-ethyl-N-methylpropanamide.

Molecular Properties

Compound Name2-[[2-(benzylamino)-2-oxoethyl]amino]-N-ethyl-N-methylpropanamide
PubChem CID103108505
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-[[2-(benzylamino)-2-oxoethyl]amino]-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)NCC(=O)NCc1ccccc1
InChIInChI=1S/C15H23N3O2/c1-4-18(3)15(20)12(2)16-11-14(19)17-10-13-8-6-5-7-9-13/h5-9,12,16H,4,10-11H2,1-3H3,(H,17,19)
InChIKeyRYYOBQPGWPJRHI-UHFFFAOYSA-N
XLogP0.76
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(benzylamino)-2-oxoethyl]amino]propanamide
CID 43545529
3-[[2-(benzylamino)-2-oxoethyl]amino]butanoic acid
CID 54881576
N-benzyl-2-(heptan-4-ylamino)acetamide
CID 54881646
N-ethyl-2-[[4-(hydroxymethyl)phenyl]methylamino]-N-methylpropanamide
CID 103108687
2-(benzylamino)-N,N-diethylpropanamide
CID 43112479
N-benzyl-2-[(4-hydroxy-3-methylbutan-2-yl)amino]acetamide
CID 104696422
N-benzyl-2-[[2-(butan-2-ylamino)-2-oxoethyl]amino]acetamide
CID 60971680
2-[(4-bromophenyl)methylamino]-N-ethyl-N-methylpropanamide
CID 103107208
N-ethyl-2-[(2-hydroxy-2-phenylethyl)amino]-N-methylpropanamide
CID 103108745
N-benzyl-2-[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetamide
CID 8991910
N-benzyl-2-[[(1R)-1-(3-methylphenyl)ethyl]amino]acetamide
CID 81367300
2-[[2-(carbamoylamino)-2-oxoethyl]amino]-N-ethyl-N-methylpropanamide
CID 103108802

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(benzylamino)-2-oxoethyl]amino]-N-ethyl-N-methylpropanamide?
The IUPAC name of 2-[[2-(benzylamino)-2-oxoethyl]amino]-N-ethyl-N-methylpropanamide (CID 103108505) is 2-[[2-(benzylamino)-2-oxoethyl]amino]-N-ethyl-N-methylpropanamide.
What is the SMILES notation for 2-[[2-(benzylamino)-2-oxoethyl]amino]-N-ethyl-N-methylpropanamide?
The canonical SMILES for 2-[[2-(benzylamino)-2-oxoethyl]amino]-N-ethyl-N-methylpropanamide is CCN(C)C(=O)C(C)NCC(=O)NCc1ccccc1.
What is the InChIKey of 2-[[2-(benzylamino)-2-oxoethyl]amino]-N-ethyl-N-methylpropanamide?
The InChIKey is RYYOBQPGWPJRHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-4-18(3)15(20)12(2)16-11-14(19)17-10-13-8-6-5-7-9-13/h5-9,12,16H,4,10-11H2,1-3H3,(H,17,19).
What are the key properties of 2-[[2-(benzylamino)-2-oxoethyl]amino]-N-ethyl-N-methylpropanamide?
2-[[2-(benzylamino)-2-oxoethyl]amino]-N-ethyl-N-methylpropanamide has a molecular weight of 277.37 g/mol, XLogP of 0.76, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(benzylamino)-2-oxoethyl]amino]-N-ethyl-N-methylpropanamide is sourced from PubChem (CID 103108505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).