N-(5-amino-2-methoxyphenyl)-4-(3-hydroxypyrrolidin-1-yl)butanamide

C15H23N3O3 — CID 62917024

IUPACN-(5-amino-2-methoxyphenyl)-4-(3-hydroxypyrrolidin-1-yl)butanamide
SMILESCOc1ccc(N)cc1NC(=O)CCCN1CCC(O)C1
InChIInChI=1S/C15H23N3O3/c1-21-14-5-4-11(16)9-13(14)17-15(20)3-2-7-18-8-6-12(19)10-18/h4-5,9,12,19H,2-3,6-8,10,16H2,1H3,(H,17,20)
InChIKeyBRZBUBRPJMZOPH-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.06
Rot. Bonds6

About N-(5-amino-2-methoxyphenyl)-4-(3-hydroxypyrrolidin-1-yl)butanamide

N-(5-amino-2-methoxyphenyl)-4-(3-hydroxypyrrolidin-1-yl)butanamide (PubChem CID 62917024) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-(5-amino-2-methoxyphenyl)-4-(3-hydroxypyrrolidin-1-yl)butanamide.

Molecular Properties

Compound NameN-(5-amino-2-methoxyphenyl)-4-(3-hydroxypyrrolidin-1-yl)butanamide
PubChem CID62917024
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC NameN-(5-amino-2-methoxyphenyl)-4-(3-hydroxypyrrolidin-1-yl)butanamide
SMILESCOc1ccc(N)cc1NC(=O)CCCN1CCC(O)C1
InChIInChI=1S/C15H23N3O3/c1-21-14-5-4-11(16)9-13(14)17-15(20)3-2-7-18-8-6-12(19)10-18/h4-5,9,12,19H,2-3,6-8,10,16H2,1H3,(H,17,20)
InChIKeyBRZBUBRPJMZOPH-UHFFFAOYSA-N
XLogP1.06
TPSA87.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
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-methoxyphenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
CID 62918714
N-(5-amino-2-methoxyphenyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 16784173
N-(5-chloro-2-methoxyphenyl)-3-(3-hydroxypiperidin-1-yl)propanamide
CID 75834881
N-(4-amino-2-methoxyphenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 115964875
methyl 2-[4-(5-amino-2-methoxyanilino)-4-oxobutyl]sulfanylacetate
CID 43618014
N-(5-amino-2-methoxyphenyl)-3-[cyclopropylmethyl(methyl)amino]propanamide
CID 60984755
N-(5-amino-2-methoxyphenyl)-4-(4-bromopyrazol-1-yl)butanamide
CID 61035267
N-(5-amino-2-methoxyphenyl)-4-(2-hydroxyethylsulfanyl)butanamide
CID 43617487
N-(3-aminophenyl)-4-(3-methoxypyrrolidin-1-yl)butanamide
CID 103530969
N-(5-amino-2-methoxyphenyl)-4-[methyl(propan-2-yl)amino]butanamide
CID 16785339
N-(4-amino-2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propanamide
CID 16779280
N-(5-amino-2-methoxyphenyl)-4-(2-methoxyethylsulfanyl)butanamide
CID 43446037

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methoxyphenyl)-4-(3-hydroxypyrrolidin-1-yl)butanamide?
The IUPAC name of N-(5-amino-2-methoxyphenyl)-4-(3-hydroxypyrrolidin-1-yl)butanamide (CID 62917024) is N-(5-amino-2-methoxyphenyl)-4-(3-hydroxypyrrolidin-1-yl)butanamide.
What is the SMILES notation for N-(5-amino-2-methoxyphenyl)-4-(3-hydroxypyrrolidin-1-yl)butanamide?
The canonical SMILES for N-(5-amino-2-methoxyphenyl)-4-(3-hydroxypyrrolidin-1-yl)butanamide is COc1ccc(N)cc1NC(=O)CCCN1CCC(O)C1.
What is the InChIKey of N-(5-amino-2-methoxyphenyl)-4-(3-hydroxypyrrolidin-1-yl)butanamide?
The InChIKey is BRZBUBRPJMZOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-21-14-5-4-11(16)9-13(14)17-15(20)3-2-7-18-8-6-12(19)10-18/h4-5,9,12,19H,2-3,6-8,10,16H2,1H3,(H,17,20).
What are the key properties of N-(5-amino-2-methoxyphenyl)-4-(3-hydroxypyrrolidin-1-yl)butanamide?
N-(5-amino-2-methoxyphenyl)-4-(3-hydroxypyrrolidin-1-yl)butanamide has a molecular weight of 293.37 g/mol, XLogP of 1.06, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methoxyphenyl)-4-(3-hydroxypyrrolidin-1-yl)butanamide is sourced from PubChem (CID 62917024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).