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

C16H25N3O2 — CID 114797183

IUPACN-(3-amino-2-methylphenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]propanamide
SMILESCc1c(N)cccc1NC(=O)C(C)N1CCC(CCO)C1
InChIInChI=1S/C16H25N3O2/c1-11-14(17)4-3-5-15(11)18-16(21)12(2)19-8-6-13(10-19)7-9-20/h3-5,12-13,20H,6-10,17H2,1-2H3,(H,18,21)
InChIKeyPVOWHIBWVUOWGL-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.61
Rot. Bonds5

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

N-(3-amino-2-methylphenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]propanamide (PubChem CID 114797183) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-(3-amino-2-methylphenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(3-amino-2-methylphenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]propanamide
PubChem CID114797183
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-(3-amino-2-methylphenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]propanamide
SMILESCc1c(N)cccc1NC(=O)C(C)N1CCC(CCO)C1
InChIInChI=1S/C16H25N3O2/c1-11-14(17)4-3-5-15(11)18-16(21)12(2)19-8-6-13(10-19)7-9-20/h3-5,12-13,20H,6-10,17H2,1-2H3,(H,18,21)
InChIKeyPVOWHIBWVUOWGL-UHFFFAOYSA-N
XLogP1.61
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.61
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-(3-amino-2-methylphenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)propanamide
CID 102956099
N-[4-(aminomethyl)phenyl]-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]propanamide
CID 114797242
N-(3-amino-2-methylphenyl)-3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]propanamide
CID 114797087
N-(2-aminophenyl)-2-(3-hydroxypyrrolidin-1-yl)propanamide
CID 62942601
N-(3-chloro-2-methylphenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]propanamide
CID 110880139
N-(2-fluorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 111543632
3-[1-[1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl]piperidin-3-yl]propanoic acid
CID 122101242
N-(3-amino-2-methylphenyl)-2-(1,4-thiazepan-4-yl)propanamide
CID 61418715
2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-methoxyphenyl)propanamide
CID 111543811
N-(3-amino-2-methylphenyl)-2-(5-oxo-1,4-diazepan-1-yl)propanamide
CID 63002831
1-[(2S)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 9443547
N-(3-amino-2-methylphenyl)-2-(2,5-dimethylmorpholin-4-yl)propanamide
CID 43544182

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylphenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]propanamide?
The IUPAC name of N-(3-amino-2-methylphenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]propanamide (CID 114797183) is N-(3-amino-2-methylphenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]propanamide.
What is the SMILES notation for N-(3-amino-2-methylphenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]propanamide?
The canonical SMILES for N-(3-amino-2-methylphenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]propanamide is Cc1c(N)cccc1NC(=O)C(C)N1CCC(CCO)C1.
What is the InChIKey of N-(3-amino-2-methylphenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]propanamide?
The InChIKey is PVOWHIBWVUOWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-11-14(17)4-3-5-15(11)18-16(21)12(2)19-8-6-13(10-19)7-9-20/h3-5,12-13,20H,6-10,17H2,1-2H3,(H,18,21).
What are the key properties of N-(3-amino-2-methylphenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]propanamide?
N-(3-amino-2-methylphenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]propanamide has a molecular weight of 291.39 g/mol, XLogP of 1.61, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylphenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]propanamide is sourced from PubChem (CID 114797183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).