2-amino-N,N-bis(cyanomethyl)-3-(4-hydroxyphenyl)propanamide

C13H14N4O2 — CID 76892169

IUPAC2-amino-N,N-bis(cyanomethyl)-3-(4-hydroxyphenyl)propanamide
SMILESN#CCN(CC#N)C(=O)C(N)Cc1ccc(O)cc1
InChIInChI=1S/C13H14N4O2/c14-5-7-17(8-6-15)13(19)12(16)9-10-1-3-11(18)4-2-10/h1-4,12,18H,7-9,16H2
InChIKeyHAUXKMPUMPREMK-UHFFFAOYSA-N
MW258.28 g/mol
LogP0.14
Rot. Bonds5

About 2-amino-N,N-bis(cyanomethyl)-3-(4-hydroxyphenyl)propanamide

2-amino-N,N-bis(cyanomethyl)-3-(4-hydroxyphenyl)propanamide (PubChem CID 76892169) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 2-amino-N,N-bis(cyanomethyl)-3-(4-hydroxyphenyl)propanamide.

Molecular Properties

Compound Name2-amino-N,N-bis(cyanomethyl)-3-(4-hydroxyphenyl)propanamide
PubChem CID76892169
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name2-amino-N,N-bis(cyanomethyl)-3-(4-hydroxyphenyl)propanamide
SMILESN#CCN(CC#N)C(=O)C(N)Cc1ccc(O)cc1
InChIInChI=1S/C13H14N4O2/c14-5-7-17(8-6-15)13(19)12(16)9-10-1-3-11(18)4-2-10/h1-4,12,18H,7-9,16H2
InChIKeyHAUXKMPUMPREMK-UHFFFAOYSA-N
XLogP0.14
TPSA114.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

Analyze 2-amino-N,N-bis(cyanomethyl)-3-(4-hydroxyphenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-amino-N,N-bis(2-amino-2-oxoethyl)-3-(4-hydroxyphenyl)propanamide
CID 104905118
(2R)-2-amino-N-(2-cyanoethyl)-3-(4-hydroxyphenyl)-N-propan-2-ylpropanamide
CID 104904779
(2R)-2-amino-N-(2-amino-2-oxoethyl)-N-ethyl-3-(4-hydroxyphenyl)propanamide
CID 103101968
(2S)-2-amino-3-(4-hydroxyphenyl)-N,N-bis(2-methoxyethyl)propanamide
CID 61154746
2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrate
CID 66692874
2-amino-N-ethyl-3-(4-hydroxyphenyl)-N-(2-methylbutyl)propanamide
CID 114350573
(2S)-2-amino-N-(2-hydroxyethyl)-3-(4-hydroxyphenyl)-N-propylpropanamide
CID 61163358
disodium;(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrate
CID 170924153
(2S)-2-amino-N-(2-amino-2-oxoethyl)-3-(4-hydroxyphenyl)-N-(2-methylpropyl)propanamide
CID 61163222
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrogen peroxide
CID 87135815
2-amino-3-(4-hydroxyphenyl)propanoic acid;λ2-plumbane
CID 175006953
(2R)-2-amino-3-(4-hydroxyphenyl)propanamide
CID 10511575

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,N-bis(cyanomethyl)-3-(4-hydroxyphenyl)propanamide?
The IUPAC name of 2-amino-N,N-bis(cyanomethyl)-3-(4-hydroxyphenyl)propanamide (CID 76892169) is 2-amino-N,N-bis(cyanomethyl)-3-(4-hydroxyphenyl)propanamide.
What is the SMILES notation for 2-amino-N,N-bis(cyanomethyl)-3-(4-hydroxyphenyl)propanamide?
The canonical SMILES for 2-amino-N,N-bis(cyanomethyl)-3-(4-hydroxyphenyl)propanamide is N#CCN(CC#N)C(=O)C(N)Cc1ccc(O)cc1.
What is the InChIKey of 2-amino-N,N-bis(cyanomethyl)-3-(4-hydroxyphenyl)propanamide?
The InChIKey is HAUXKMPUMPREMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c14-5-7-17(8-6-15)13(19)12(16)9-10-1-3-11(18)4-2-10/h1-4,12,18H,7-9,16H2.
What are the key properties of 2-amino-N,N-bis(cyanomethyl)-3-(4-hydroxyphenyl)propanamide?
2-amino-N,N-bis(cyanomethyl)-3-(4-hydroxyphenyl)propanamide has a molecular weight of 258.28 g/mol, XLogP of 0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,N-bis(cyanomethyl)-3-(4-hydroxyphenyl)propanamide is sourced from PubChem (CID 76892169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).