2-[[2-(benzylamino)-2-oxoethyl]amino]propanamide

C12H17N3O2 — CID 43545529

IUPAC2-[[2-(benzylamino)-2-oxoethyl]amino]propanamide
SMILESCC(NCC(=O)NCc1ccccc1)C(N)=O
InChIInChI=1S/C12H17N3O2/c1-9(12(13)17)14-8-11(16)15-7-10-5-3-2-4-6-10/h2-6,9,14H,7-8H2,1H3,(H2,13,17)(H,15,16)
InChIKeyOIYPIXYTPIBSHC-UHFFFAOYSA-N
MW235.29 g/mol
LogP-0.23
Rot. Bonds6

About 2-[[2-(benzylamino)-2-oxoethyl]amino]propanamide

2-[[2-(benzylamino)-2-oxoethyl]amino]propanamide (PubChem CID 43545529) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-[[2-(benzylamino)-2-oxoethyl]amino]propanamide.

Molecular Properties

Compound Name2-[[2-(benzylamino)-2-oxoethyl]amino]propanamide
PubChem CID43545529
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-[[2-(benzylamino)-2-oxoethyl]amino]propanamide
SMILESCC(NCC(=O)NCc1ccccc1)C(N)=O
InChIInChI=1S/C12H17N3O2/c1-9(12(13)17)14-8-11(16)15-7-10-5-3-2-4-6-10/h2-6,9,14H,7-8H2,1H3,(H2,13,17)(H,15,16)
InChIKeyOIYPIXYTPIBSHC-UHFFFAOYSA-N
XLogP-0.23
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(benzylamino)-2-oxoethyl]amino]butanoic acid
CID 54881576
2-[[2-(benzylamino)-2-oxoethyl]amino]-N-ethyl-N-methylpropanamide
CID 103108505
N-benzyl-2-[(4-hydroxy-3-methylbutan-2-yl)amino]acetamide
CID 104696422
N-benzyl-2-(heptan-4-ylamino)acetamide
CID 54881646
N-benzyl-2-hydrazinylacetamide
CID 15514349
N-benzyl-2-[[2-(butan-2-ylamino)-2-oxoethyl]amino]acetamide
CID 60971680
(2R)-2-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]amino]propanoic acid
CID 83193742
N-benzyl-2-[1-(2-fluorophenyl)ethylamino]acetamide
CID 18086041
N-benzyl-2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetamide
CID 8917782
N-benzyl-2-[[(1S)-1-(2-bromophenyl)ethyl]amino]acetamide
CID 81378591
ethyl 2-[[2-(benzylamino)-2-oxoethyl]amino]butanoate
CID 64669138
N-benzyl-2-(carbamothioylamino)acetamide
CID 86103801

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(benzylamino)-2-oxoethyl]amino]propanamide?
The IUPAC name of 2-[[2-(benzylamino)-2-oxoethyl]amino]propanamide (CID 43545529) is 2-[[2-(benzylamino)-2-oxoethyl]amino]propanamide.
What is the SMILES notation for 2-[[2-(benzylamino)-2-oxoethyl]amino]propanamide?
The canonical SMILES for 2-[[2-(benzylamino)-2-oxoethyl]amino]propanamide is CC(NCC(=O)NCc1ccccc1)C(N)=O.
What is the InChIKey of 2-[[2-(benzylamino)-2-oxoethyl]amino]propanamide?
The InChIKey is OIYPIXYTPIBSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-9(12(13)17)14-8-11(16)15-7-10-5-3-2-4-6-10/h2-6,9,14H,7-8H2,1H3,(H2,13,17)(H,15,16).
What are the key properties of 2-[[2-(benzylamino)-2-oxoethyl]amino]propanamide?
2-[[2-(benzylamino)-2-oxoethyl]amino]propanamide has a molecular weight of 235.29 g/mol, XLogP of -0.23, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(benzylamino)-2-oxoethyl]amino]propanamide is sourced from PubChem (CID 43545529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).