2-amino-N-(2-amino-2-oxoethyl)-3-(4-hydroxyphenyl)-N-methylpropanamide

C12H17N3O3 — CID 76893046

IUPAC2-amino-N-(2-amino-2-oxoethyl)-3-(4-hydroxyphenyl)-N-methylpropanamide
SMILESCN(CC(N)=O)C(=O)C(N)Cc1ccc(O)cc1
InChIInChI=1S/C12H17N3O3/c1-15(7-11(14)17)12(18)10(13)6-8-2-4-9(16)5-3-8/h2-5,10,16H,6-7,13H2,1H3,(H2,14,17)
InChIKeySNVQLDFTZRUBCK-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.79
Rot. Bonds5

About 2-amino-N-(2-amino-2-oxoethyl)-3-(4-hydroxyphenyl)-N-methylpropanamide

2-amino-N-(2-amino-2-oxoethyl)-3-(4-hydroxyphenyl)-N-methylpropanamide (PubChem CID 76893046) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-amino-N-(2-amino-2-oxoethyl)-3-(4-hydroxyphenyl)-N-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-(2-amino-2-oxoethyl)-3-(4-hydroxyphenyl)-N-methylpropanamide
PubChem CID76893046
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name2-amino-N-(2-amino-2-oxoethyl)-3-(4-hydroxyphenyl)-N-methylpropanamide
SMILESCN(CC(N)=O)C(=O)C(N)Cc1ccc(O)cc1
InChIInChI=1S/C12H17N3O3/c1-15(7-11(14)17)12(18)10(13)6-8-2-4-9(16)5-3-8/h2-5,10,16H,6-7,13H2,1H3,(H2,14,17)
InChIKeySNVQLDFTZRUBCK-UHFFFAOYSA-N
XLogP-0.79
TPSA109.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 76893468
(2R)-2-amino-N,N-bis(2-amino-2-oxoethyl)-3-(4-hydroxyphenyl)propanamide
CID 104905118
(2R)-2-amino-N-(2-amino-2-oxoethyl)-N-ethyl-3-(4-hydroxyphenyl)propanamide
CID 103101968
(2S)-2-amino-3-(4-hydroxyphenyl)-N-(2-hydroxypropyl)-N-methylpropanamide
CID 55060692
(2S)-2-amino-3-(4-hydroxyphenyl)-N-methyl-N-propylpropanamide
CID 61154503
(2S)-2-amino-N-(3-hydroxybutyl)-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 104869224
(2R)-2-amino-N-(2,2-difluoroethyl)-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 104905584
(2S)-2-amino-N-(2-amino-2-oxoethyl)-3-(4-hydroxyphenyl)-N-(2-methylpropyl)propanamide
CID 61163222
2-amino-3-(4-hydroxyphenyl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide
CID 76895208
(2R)-2-amino-N-butyl-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 104904581
(2S)-2-amino-N-(2-hydroxy-2-methylpropyl)-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 79379558
(2R)-2-amino-N-(2-hydroxy-2-methylpropyl)-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 104905331

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-amino-2-oxoethyl)-3-(4-hydroxyphenyl)-N-methylpropanamide?
The IUPAC name of 2-amino-N-(2-amino-2-oxoethyl)-3-(4-hydroxyphenyl)-N-methylpropanamide (CID 76893046) is 2-amino-N-(2-amino-2-oxoethyl)-3-(4-hydroxyphenyl)-N-methylpropanamide.
What is the SMILES notation for 2-amino-N-(2-amino-2-oxoethyl)-3-(4-hydroxyphenyl)-N-methylpropanamide?
The canonical SMILES for 2-amino-N-(2-amino-2-oxoethyl)-3-(4-hydroxyphenyl)-N-methylpropanamide is CN(CC(N)=O)C(=O)C(N)Cc1ccc(O)cc1.
What is the InChIKey of 2-amino-N-(2-amino-2-oxoethyl)-3-(4-hydroxyphenyl)-N-methylpropanamide?
The InChIKey is SNVQLDFTZRUBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-15(7-11(14)17)12(18)10(13)6-8-2-4-9(16)5-3-8/h2-5,10,16H,6-7,13H2,1H3,(H2,14,17).
What are the key properties of 2-amino-N-(2-amino-2-oxoethyl)-3-(4-hydroxyphenyl)-N-methylpropanamide?
2-amino-N-(2-amino-2-oxoethyl)-3-(4-hydroxyphenyl)-N-methylpropanamide has a molecular weight of 251.29 g/mol, XLogP of -0.79, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-amino-2-oxoethyl)-3-(4-hydroxyphenyl)-N-methylpropanamide is sourced from PubChem (CID 76893046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).