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

C15H23N3O — CID 54881990

IUPACN-(5-amino-2-methylphenyl)-3-(2-methylpyrrolidin-1-yl)propanamide
SMILESCc1ccc(N)cc1NC(=O)CCN1CCCC1C
InChIInChI=1S/C15H23N3O/c1-11-5-6-13(16)10-14(11)17-15(19)7-9-18-8-3-4-12(18)2/h5-6,10,12H,3-4,7-9,16H2,1-2H3,(H,17,19)
InChIKeyJMNPKHFNPCPKTG-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.39
Rot. Bonds4

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

N-(5-amino-2-methylphenyl)-3-(2-methylpyrrolidin-1-yl)propanamide (PubChem CID 54881990) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-3-(2-methylpyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-3-(2-methylpyrrolidin-1-yl)propanamide
PubChem CID54881990
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-(5-amino-2-methylphenyl)-3-(2-methylpyrrolidin-1-yl)propanamide
SMILESCc1ccc(N)cc1NC(=O)CCN1CCCC1C
InChIInChI=1S/C15H23N3O/c1-11-5-6-13(16)10-14(11)17-15(19)7-9-18-8-3-4-12(18)2/h5-6,10,12H,3-4,7-9,16H2,1-2H3,(H,17,19)
InChIKeyJMNPKHFNPCPKTG-UHFFFAOYSA-N
XLogP2.39
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-amino-2-methylphenyl)-4-(2-methylpiperidin-1-yl)butanamide
CID 16779127
N-(5-amino-2-methylphenyl)-3-(3-methylmorpholin-4-yl)propanamide
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N-(5-amino-2-methylphenyl)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanamide
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N-(2-amino-5-chlorophenyl)-3-(2-methylpyrrolidin-1-yl)propanamide
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N-(3-aminophenyl)-3-(2-methylpiperidin-1-yl)propanamide
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N-(5-amino-2-methylphenyl)-3-[3-(dimethylamino)pyrrolidin-1-yl]propanamide
CID 63166537
N-(5-amino-2-fluorophenyl)-3-(2,3-dimethylpiperidin-1-yl)propanamide
CID 62124048
N-(2-aminophenyl)-3-(2-methylpiperidin-1-yl)propanamide
CID 16779613
N-(5-amino-2-methylphenyl)-3-(1,4-thiazepan-4-yl)propanamide
CID 61418422
N-(6-amino-1,3-benzothiazol-2-yl)-3-(2-methylpyrrolidin-1-yl)propanamide
CID 60974238
N-(5-amino-2-methylphenyl)-3-(2-oxopyrrolidin-1-yl)propanamide
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CID 43447503

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-3-(2-methylpyrrolidin-1-yl)propanamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-3-(2-methylpyrrolidin-1-yl)propanamide (CID 54881990) is N-(5-amino-2-methylphenyl)-3-(2-methylpyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-3-(2-methylpyrrolidin-1-yl)propanamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-3-(2-methylpyrrolidin-1-yl)propanamide is Cc1ccc(N)cc1NC(=O)CCN1CCCC1C.
What is the InChIKey of N-(5-amino-2-methylphenyl)-3-(2-methylpyrrolidin-1-yl)propanamide?
The InChIKey is JMNPKHFNPCPKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-11-5-6-13(16)10-14(11)17-15(19)7-9-18-8-3-4-12(18)2/h5-6,10,12H,3-4,7-9,16H2,1-2H3,(H,17,19).
What are the key properties of N-(5-amino-2-methylphenyl)-3-(2-methylpyrrolidin-1-yl)propanamide?
N-(5-amino-2-methylphenyl)-3-(2-methylpyrrolidin-1-yl)propanamide has a molecular weight of 261.37 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)-3-(2-methylpyrrolidin-1-yl)propanamide is sourced from PubChem (CID 54881990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).