2-amino-3-hydroxy-N-[4-methanimidoyl-3-(3-methylanilino)phenyl]propanamide

C17H20N4O2 — CID 155220408

IUPAC2-amino-3-hydroxy-N-[4-methanimidoyl-3-(3-methylanilino)phenyl]propanamide
SMILES[H]/N=C/c1ccc(NC(=O)C(N)CO)cc1Nc1cccc(C)c1
InChIInChI=1S/C17H20N4O2/c1-11-3-2-4-13(7-11)20-16-8-14(6-5-12(16)9-18)21-17(23)15(19)10-22/h2-9,15,18,20,22H,10,19H2,1H3,(H,21,23)/b18-9+
InChIKeyBHDUGWKTWQVJPV-GIJQJNRQSA-N
MW312.37 g/mol
LogP1.99
Rot. Bonds6

About 2-amino-3-hydroxy-N-[4-methanimidoyl-3-(3-methylanilino)phenyl]propanamide

2-amino-3-hydroxy-N-[4-methanimidoyl-3-(3-methylanilino)phenyl]propanamide (PubChem CID 155220408) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-amino-3-hydroxy-N-[4-methanimidoyl-3-(3-methylanilino)phenyl]propanamide.

Molecular Properties

Compound Name2-amino-3-hydroxy-N-[4-methanimidoyl-3-(3-methylanilino)phenyl]propanamide
PubChem CID155220408
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name2-amino-3-hydroxy-N-[4-methanimidoyl-3-(3-methylanilino)phenyl]propanamide
SMILES[H]/N=C/c1ccc(NC(=O)C(N)CO)cc1Nc1cccc(C)c1
InChIInChI=1S/C17H20N4O2/c1-11-3-2-4-13(7-11)20-16-8-14(6-5-12(16)9-18)21-17(23)15(19)10-22/h2-9,15,18,20,22H,10,19H2,1H3,(H,21,23)/b18-9+
InChIKeyBHDUGWKTWQVJPV-GIJQJNRQSA-N
XLogP1.99
TPSA111.23 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.99
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-methanimidoyl-3-N-(3-methylphenyl)benzene-1,3-diamine
CID 155713764
2-amino-N-(3-methylphenyl)butanamide
CID 43649463
(2S)-2-amino-4-methyl-N-(3-methylphenyl)pentanamide
CID 22691033
(2S)-2-amino-N-(3-methylphenyl)-3-phenylpropanamide
CID 22691206
N-[5-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-2-methylphenyl]-2-methylpropanamide
CID 131943184
ethane;2-methyl-N-(3-methylphenyl)propanamide
CID 163229096
2-amino-N-[3-ethyl-1-(3-methylphenyl)indazol-6-yl]-3-hydroxypropanamide
CID 155214405
(2S)-2-amino-4-methyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]pentanamide;hydrochloride
CID 119679357
(2S)-2-amino-3-hydroxy-3-methyl-N-[2-methyl-3-(3-methylanilino)phenyl]butanamide
CID 167897955
(2S)-2-(carbamoylamino)-N-(3-methylphenyl)propanamide
CID 32704805
2-(carbamoylamino)-N-(3-methylphenyl)propanamide
CID 24643360
(2S)-2-amino-3,3-dimethyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]butanamide
CID 119679340

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-hydroxy-N-[4-methanimidoyl-3-(3-methylanilino)phenyl]propanamide?
The IUPAC name of 2-amino-3-hydroxy-N-[4-methanimidoyl-3-(3-methylanilino)phenyl]propanamide (CID 155220408) is 2-amino-3-hydroxy-N-[4-methanimidoyl-3-(3-methylanilino)phenyl]propanamide.
What is the SMILES notation for 2-amino-3-hydroxy-N-[4-methanimidoyl-3-(3-methylanilino)phenyl]propanamide?
The canonical SMILES for 2-amino-3-hydroxy-N-[4-methanimidoyl-3-(3-methylanilino)phenyl]propanamide is [H]/N=C/c1ccc(NC(=O)C(N)CO)cc1Nc1cccc(C)c1.
What is the InChIKey of 2-amino-3-hydroxy-N-[4-methanimidoyl-3-(3-methylanilino)phenyl]propanamide?
The InChIKey is BHDUGWKTWQVJPV-GIJQJNRQSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-11-3-2-4-13(7-11)20-16-8-14(6-5-12(16)9-18)21-17(23)15(19)10-22/h2-9,15,18,20,22H,10,19H2,1H3,(H,21,23)/b18-9+.
What are the key properties of 2-amino-3-hydroxy-N-[4-methanimidoyl-3-(3-methylanilino)phenyl]propanamide?
2-amino-3-hydroxy-N-[4-methanimidoyl-3-(3-methylanilino)phenyl]propanamide has a molecular weight of 312.37 g/mol, XLogP of 1.99, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-hydroxy-N-[4-methanimidoyl-3-(3-methylanilino)phenyl]propanamide is sourced from PubChem (CID 155220408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).