N-(2-amino-4-methoxyphenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide

C15H23N3O3 — CID 103355441

IUPACN-(2-amino-4-methoxyphenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide
SMILESCOc1ccc(NC(=O)C(C)N2CCC(C)(O)C2)c(N)c1
InChIInChI=1S/C15H23N3O3/c1-10(18-7-6-15(2,20)9-18)14(19)17-13-5-4-11(21-3)8-12(13)16/h4-5,8,10,20H,6-7,9,16H2,1-3H3,(H,17,19)
InChIKeyQBFCLVATJDZFIB-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.06
Rot. Bonds4

About N-(2-amino-4-methoxyphenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide

N-(2-amino-4-methoxyphenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide (PubChem CID 103355441) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-(2-amino-4-methoxyphenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-amino-4-methoxyphenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide
PubChem CID103355441
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC NameN-(2-amino-4-methoxyphenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide
SMILESCOc1ccc(NC(=O)C(C)N2CCC(C)(O)C2)c(N)c1
InChIInChI=1S/C15H23N3O3/c1-10(18-7-6-15(2,20)9-18)14(19)17-13-5-4-11(21-3)8-12(13)16/h4-5,8,10,20H,6-7,9,16H2,1-3H3,(H,17,19)
InChIKeyQBFCLVATJDZFIB-UHFFFAOYSA-N
XLogP1.06
TPSA87.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-(2,6-dimethylmorpholin-4-yl)propanamide
CID 16779396
N-(5-amino-2-methylphenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide
CID 103355465
(2S)-N-(2-amino-4-methoxyphenyl)-2-methylbutanamide
CID 40788880
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(4-methoxy-2-nitrophenyl)propanamide
CID 120771478
N-(2-amino-4-methoxyphenyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 16786257
(2-amino-4-methoxyphenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103355975
N-(3-amino-4-fluorophenyl)-2-(4-hydroxy-4-methylpiperidin-1-yl)propanamide
CID 81098789
N-(2-amino-4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)propanamide
CID 43592372
N-(2-amino-4-methoxyphenyl)-2-(diethylamino)propanamide
CID 16779414
(2-amino-4-methoxyphenyl)carbamic acid
CID 22317519
N-(2-amino-4-methoxyphenyl)-2-[methyl(3-methylbutan-2-yl)amino]propanamide
CID 43569639

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methoxyphenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide?
The IUPAC name of N-(2-amino-4-methoxyphenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide (CID 103355441) is N-(2-amino-4-methoxyphenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-(2-amino-4-methoxyphenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide?
The canonical SMILES for N-(2-amino-4-methoxyphenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide is COc1ccc(NC(=O)C(C)N2CCC(C)(O)C2)c(N)c1.
What is the InChIKey of N-(2-amino-4-methoxyphenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide?
The InChIKey is QBFCLVATJDZFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-10(18-7-6-15(2,20)9-18)14(19)17-13-5-4-11(21-3)8-12(13)16/h4-5,8,10,20H,6-7,9,16H2,1-3H3,(H,17,19).
What are the key properties of N-(2-amino-4-methoxyphenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide?
N-(2-amino-4-methoxyphenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide has a molecular weight of 293.37 g/mol, XLogP of 1.06, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methoxyphenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide is sourced from PubChem (CID 103355441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).