3-amino-N-(2-amino-2-oxoethyl)-N-methyl-2-phenylpropanamide

C12H17N3O2 — CID 62877301

IUPAC3-amino-N-(2-amino-2-oxoethyl)-N-methyl-2-phenylpropanamide
SMILESCN(CC(N)=O)C(=O)C(CN)c1ccccc1
InChIInChI=1S/C12H17N3O2/c1-15(8-11(14)16)12(17)10(7-13)9-5-3-2-4-6-9/h2-6,10H,7-8,13H2,1H3,(H2,14,16)
InChIKeyPAZPBGKIVGXLPT-UHFFFAOYSA-N
MW235.29 g/mol
LogP-0.33
Rot. Bonds5

About 3-amino-N-(2-amino-2-oxoethyl)-N-methyl-2-phenylpropanamide

3-amino-N-(2-amino-2-oxoethyl)-N-methyl-2-phenylpropanamide (PubChem CID 62877301) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-amino-N-(2-amino-2-oxoethyl)-N-methyl-2-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-(2-amino-2-oxoethyl)-N-methyl-2-phenylpropanamide
PubChem CID62877301
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name3-amino-N-(2-amino-2-oxoethyl)-N-methyl-2-phenylpropanamide
SMILESCN(CC(N)=O)C(=O)C(CN)c1ccccc1
InChIInChI=1S/C12H17N3O2/c1-15(8-11(14)16)12(17)10(7-13)9-5-3-2-4-6-9/h2-6,10H,7-8,13H2,1H3,(H2,14,16)
InChIKeyPAZPBGKIVGXLPT-UHFFFAOYSA-N
XLogP-0.33
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-amino-N,N-dimethyl-2-phenylpropanamide
CID 94888711
3-amino-N-benzyl-N-methyl-2-phenylpropanamide
CID 62878331
3-amino-N-(2-amino-2-oxoethyl)-2-phenyl-N-propan-2-ylpropanamide
CID 62877996
3-amino-N-[(2-hydroxyphenyl)methyl]-N-methyl-2-phenylpropanamide
CID 62878721
3-amino-N-(cyclobutylmethyl)-N-methyl-2-phenylpropanamide
CID 62878205
3-amino-N,N-diethyl-2-phenylpropanamide
CID 62876932
3-amino-N-butan-2-yl-N-methyl-2-phenylpropanamide
CID 62879219
3-amino-N-(furan-2-ylmethyl)-N-methyl-2-phenylpropanamide
CID 62878878
3-amino-N-(cyclobutylmethyl)-N-methyl-2-phenylpropanamide;hydrochloride
CID 119770662
2-[(3-amino-2-phenylpropyl)-methylamino]acetamide
CID 43532171
3-amino-N-[(5-bromofuran-2-yl)methyl]-N-methyl-2-phenylpropanamide
CID 62877834
3-amino-N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)propanamide;dihydrochloride
CID 119958250

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-amino-2-oxoethyl)-N-methyl-2-phenylpropanamide?
The IUPAC name of 3-amino-N-(2-amino-2-oxoethyl)-N-methyl-2-phenylpropanamide (CID 62877301) is 3-amino-N-(2-amino-2-oxoethyl)-N-methyl-2-phenylpropanamide.
What is the SMILES notation for 3-amino-N-(2-amino-2-oxoethyl)-N-methyl-2-phenylpropanamide?
The canonical SMILES for 3-amino-N-(2-amino-2-oxoethyl)-N-methyl-2-phenylpropanamide is CN(CC(N)=O)C(=O)C(CN)c1ccccc1.
What is the InChIKey of 3-amino-N-(2-amino-2-oxoethyl)-N-methyl-2-phenylpropanamide?
The InChIKey is PAZPBGKIVGXLPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-15(8-11(14)16)12(17)10(7-13)9-5-3-2-4-6-9/h2-6,10H,7-8,13H2,1H3,(H2,14,16).
What are the key properties of 3-amino-N-(2-amino-2-oxoethyl)-N-methyl-2-phenylpropanamide?
3-amino-N-(2-amino-2-oxoethyl)-N-methyl-2-phenylpropanamide has a molecular weight of 235.29 g/mol, XLogP of -0.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-amino-2-oxoethyl)-N-methyl-2-phenylpropanamide is sourced from PubChem (CID 62877301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).