N-(5-amino-2-methylphenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetamide

C15H23N3O2 — CID 114797132

IUPACN-(5-amino-2-methylphenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetamide
SMILESCc1ccc(N)cc1NC(=O)CN1CCC(CCO)C1
InChIInChI=1S/C15H23N3O2/c1-11-2-3-13(16)8-14(11)17-15(20)10-18-6-4-12(9-18)5-7-19/h2-3,8,12,19H,4-7,9-10,16H2,1H3,(H,17,20)
InChIKeyZFAGEEIRZHTMII-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.22
Rot. Bonds5

About N-(5-amino-2-methylphenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetamide

N-(5-amino-2-methylphenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetamide (PubChem CID 114797132) 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-(2-hydroxyethyl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetamide
PubChem CID114797132
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-(5-amino-2-methylphenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetamide
SMILESCc1ccc(N)cc1NC(=O)CN1CCC(CCO)C1
InChIInChI=1S/C15H23N3O2/c1-11-2-3-13(16)8-14(11)17-15(20)10-18-6-4-12(9-18)5-7-19/h2-3,8,12,19H,4-7,9-10,16H2,1H3,(H,17,20)
InChIKeyZFAGEEIRZHTMII-UHFFFAOYSA-N
XLogP1.22
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.22
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-(4-amino-2-methylphenyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]acetamide
CID 107227238
N-(5-amino-2-methylphenyl)-2-(3,4-dimethylpyrrolidin-1-yl)acetamide
CID 79189234
N-(5-amino-2-methylphenyl)-2-(4-cyclopropylpiperazin-1-yl)acetamide
CID 61439794
2-(3-aminopyrrolidin-1-yl)-N-(2,5-dimethylphenyl)acetamide
CID 62068769
N-(4-amino-2-methylphenyl)-2-(4-hydroxy-3-methylpiperidin-1-yl)acetamide
CID 114677873
2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 115647804
2-(4-acetylpiperazin-1-yl)-N-(5-amino-2-methylphenyl)acetamide
CID 16788488
N-(2-fluorophenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetamide
CID 115648320
N-(4-amino-2-methylphenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 115964918
N-(5-chloro-2-methoxyphenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetamide
CID 115647977
N-(4-amino-2-methoxyphenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 43246094
N-(2-aminophenyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]acetamide
CID 107227195

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetamide (CID 114797132) is N-(5-amino-2-methylphenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetamide is Cc1ccc(N)cc1NC(=O)CN1CCC(CCO)C1.
What is the InChIKey of N-(5-amino-2-methylphenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetamide?
The InChIKey is ZFAGEEIRZHTMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-11-2-3-13(16)8-14(11)17-15(20)10-18-6-4-12(9-18)5-7-19/h2-3,8,12,19H,4-7,9-10,16H2,1H3,(H,17,20).
What are the key properties of N-(5-amino-2-methylphenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetamide?
N-(5-amino-2-methylphenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetamide has a molecular weight of 277.37 g/mol, XLogP of 1.22, 5 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-(2-hydroxyethyl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 114797132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).