N-[(2S)-2-(2-aminoanilino)-3-(4-methylphenyl)propyl]-2-hydroxyacetamide

C18H23N3O2 — CID 155774528

IUPACN-[(2S)-2-(2-aminoanilino)-3-(4-methylphenyl)propyl]-2-hydroxyacetamide
SMILESCc1ccc(C[C@@H](CNC(=O)CO)Nc2ccccc2N)cc1
InChIInChI=1S/C18H23N3O2/c1-13-6-8-14(9-7-13)10-15(11-20-18(23)12-22)21-17-5-3-2-4-16(17)19/h2-9,15,21-22H,10-12,19H2,1H3,(H,20,23)/t15-/m0/s1
InChIKeyLHHRMISEWNCXTN-HNNXBMFYSA-N
MW313.40 g/mol
LogP1.71
Rot. Bonds7

About N-[(2S)-2-(2-aminoanilino)-3-(4-methylphenyl)propyl]-2-hydroxyacetamide

N-[(2S)-2-(2-aminoanilino)-3-(4-methylphenyl)propyl]-2-hydroxyacetamide (PubChem CID 155774528) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[(2S)-2-(2-aminoanilino)-3-(4-methylphenyl)propyl]-2-hydroxyacetamide.

Molecular Properties

Compound NameN-[(2S)-2-(2-aminoanilino)-3-(4-methylphenyl)propyl]-2-hydroxyacetamide
PubChem CID155774528
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-[(2S)-2-(2-aminoanilino)-3-(4-methylphenyl)propyl]-2-hydroxyacetamide
SMILESCc1ccc(C[C@@H](CNC(=O)CO)Nc2ccccc2N)cc1
InChIInChI=1S/C18H23N3O2/c1-13-6-8-14(9-7-13)10-15(11-20-18(23)12-22)21-17-5-3-2-4-16(17)19/h2-9,15,21-22H,10-12,19H2,1H3,(H,20,23)/t15-/m0/s1
InChIKeyLHHRMISEWNCXTN-HNNXBMFYSA-N
XLogP1.71
TPSA87.38 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminoanilino)-2-(4-methylphenyl)ethanol
CID 139535831
3-(4-methylphenyl)-2-(2-nitroanilino)propan-1-ol
CID 156674405
[(2S)-2-(2-aminoanilino)-3-(4-methylphenyl)propanoyl] 1-methylazetidine-3-carboxylate
CID 175080728
2-benzyl-3-[[2-(4-methylphenyl)acetyl]amino]propanoic acid
CID 119234039
2-(2-aminoanilino)propanoic acid
CID 67237083
N-(2-hydroxypropyl)-2-(4-methylphenyl)acetamide
CID 43418404
N-[(2R)-2-hydroxypropyl]-2-(4-methylphenyl)acetamide
CID 83032531
N-(2-aminophenyl)-2-(4-methylphenyl)sulfinylpropanamide
CID 61302211
2-(methylamino)-3-(4-methylphenyl)propan-1-ol
CID 83529884
3-(2-aminophenyl)-N-[2-(4-methylphenyl)ethyl]propanamide
CID 120610880
N-[2-(hydroxymethyl)-3-(4-methylphenyl)propyl]acetamide
CID 82350206
N-(2-aminophenyl)-3-(4-methylphenyl)sulfinylpropanamide
CID 61302398

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(2-aminoanilino)-3-(4-methylphenyl)propyl]-2-hydroxyacetamide?
The IUPAC name of N-[(2S)-2-(2-aminoanilino)-3-(4-methylphenyl)propyl]-2-hydroxyacetamide (CID 155774528) is N-[(2S)-2-(2-aminoanilino)-3-(4-methylphenyl)propyl]-2-hydroxyacetamide.
What is the SMILES notation for N-[(2S)-2-(2-aminoanilino)-3-(4-methylphenyl)propyl]-2-hydroxyacetamide?
The canonical SMILES for N-[(2S)-2-(2-aminoanilino)-3-(4-methylphenyl)propyl]-2-hydroxyacetamide is Cc1ccc(C[C@@H](CNC(=O)CO)Nc2ccccc2N)cc1.
What is the InChIKey of N-[(2S)-2-(2-aminoanilino)-3-(4-methylphenyl)propyl]-2-hydroxyacetamide?
The InChIKey is LHHRMISEWNCXTN-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-13-6-8-14(9-7-13)10-15(11-20-18(23)12-22)21-17-5-3-2-4-16(17)19/h2-9,15,21-22H,10-12,19H2,1H3,(H,20,23)/t15-/m0/s1.
What are the key properties of N-[(2S)-2-(2-aminoanilino)-3-(4-methylphenyl)propyl]-2-hydroxyacetamide?
N-[(2S)-2-(2-aminoanilino)-3-(4-methylphenyl)propyl]-2-hydroxyacetamide has a molecular weight of 313.40 g/mol, XLogP of 1.71, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(2-aminoanilino)-3-(4-methylphenyl)propyl]-2-hydroxyacetamide is sourced from PubChem (CID 155774528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).