N-(5-amino-2-methylphenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide

C15H23N3O2 — CID 103355465

IUPACN-(5-amino-2-methylphenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide
SMILESCc1ccc(N)cc1NC(=O)C(C)N1CCC(C)(O)C1
InChIInChI=1S/C15H23N3O2/c1-10-4-5-12(16)8-13(10)17-14(19)11(2)18-7-6-15(3,20)9-18/h4-5,8,11,20H,6-7,9,16H2,1-3H3,(H,17,19)
InChIKeyGCLXYSRVPKHJQN-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.36
Rot. Bonds3

About N-(5-amino-2-methylphenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide

N-(5-amino-2-methylphenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide (PubChem CID 103355465) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide
PubChem CID103355465
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-(5-amino-2-methylphenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide
SMILESCc1ccc(N)cc1NC(=O)C(C)N1CCC(C)(O)C1
InChIInChI=1S/C15H23N3O2/c1-10-4-5-12(16)8-13(10)17-14(19)11(2)18-7-6-15(3,20)9-18/h4-5,8,11,20H,6-7,9,16H2,1-3H3,(H,17,19)
InChIKeyGCLXYSRVPKHJQN-UHFFFAOYSA-N
XLogP1.36
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-amino-2-fluorophenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide
CID 103355524
N-(2-amino-4-methoxyphenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide
CID 103355441
N-(5-amino-2-methylphenyl)-2-(3-hydroxypyrrolidin-1-yl)propanamide
CID 62941496
N-(5-amino-2-methylphenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 16779419
N-(5-amino-2-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide;dihydrochloride
CID 120569030
N-(5-amino-2-methylphenyl)-3-(4-hydroxy-4-methylpiperidin-1-yl)propanamide
CID 81099067
N-(5-amino-2-methylphenyl)-2-(1-methylimidazol-2-yl)sulfanylpropanamide
CID 43187425
N-(3-amino-4-fluorophenyl)-2-(4-hydroxy-4-methylpiperidin-1-yl)propanamide
CID 81098789
2-(4-hydroxy-4-methylpiperidin-1-yl)-N-phenylpropanamide
CID 80702099
N-(4-amino-2-methylphenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)propanamide
CID 106667934
N-(4-amino-2-methylphenyl)-2-(4-methylpiperidin-1-yl)propanamide
CID 16779551
N-(5-amino-2-methylphenyl)-2-methylsulfonylpropanamide
CID 61024834

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide (CID 103355465) is N-(5-amino-2-methylphenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide is Cc1ccc(N)cc1NC(=O)C(C)N1CCC(C)(O)C1.
What is the InChIKey of N-(5-amino-2-methylphenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide?
The InChIKey is GCLXYSRVPKHJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-10-4-5-12(16)8-13(10)17-14(19)11(2)18-7-6-15(3,20)9-18/h4-5,8,11,20H,6-7,9,16H2,1-3H3,(H,17,19).
What are the key properties of N-(5-amino-2-methylphenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide?
N-(5-amino-2-methylphenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide has a molecular weight of 277.37 g/mol, XLogP of 1.36, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide is sourced from PubChem (CID 103355465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).