N-(3-aminophenyl)-4-(2-methylpyrrolidin-1-yl)butanamide

C15H23N3O — CID 54881953

IUPACN-(3-aminophenyl)-4-(2-methylpyrrolidin-1-yl)butanamide
SMILESCC1CCCN1CCCC(=O)Nc1cccc(N)c1
InChIInChI=1S/C15H23N3O/c1-12-5-3-9-18(12)10-4-8-15(19)17-14-7-2-6-13(16)11-14/h2,6-7,11-12H,3-5,8-10,16H2,1H3,(H,17,19)
InChIKeySZKUWGBDSJPGBA-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.47
Rot. Bonds5

About N-(3-aminophenyl)-4-(2-methylpyrrolidin-1-yl)butanamide

N-(3-aminophenyl)-4-(2-methylpyrrolidin-1-yl)butanamide (PubChem CID 54881953) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-(3-aminophenyl)-4-(2-methylpyrrolidin-1-yl)butanamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-4-(2-methylpyrrolidin-1-yl)butanamide
PubChem CID54881953
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-(3-aminophenyl)-4-(2-methylpyrrolidin-1-yl)butanamide
SMILESCC1CCCN1CCCC(=O)Nc1cccc(N)c1
InChIInChI=1S/C15H23N3O/c1-12-5-3-9-18(12)10-4-8-15(19)17-14-7-2-6-13(16)11-14/h2,6-7,11-12H,3-5,8-10,16H2,1H3,(H,17,19)
InChIKeySZKUWGBDSJPGBA-UHFFFAOYSA-N
XLogP2.47
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.47
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-(3-aminophenyl)-3-(2-methylpiperidin-1-yl)propanamide
CID 16778633
N-(3-cyanophenyl)-4-(2-methylpiperidin-1-yl)butanamide
CID 43187511
N-(3-aminophenyl)-4-(azocan-1-yl)butanamide
CID 28799889
N-(5-amino-2-methylphenyl)-4-(2-methylpiperidin-1-yl)butanamide
CID 16779127
N-(3-aminophenyl)-4-(3-ethylpiperidin-1-yl)butanamide
CID 43584150
N-(3-aminophenyl)-3-(4-methylazepan-1-yl)propanamide
CID 63624788
N-(3-aminophenyl)-4-(2-methylmorpholin-4-yl)butanamide
CID 16779606
N-(3-aminophenyl)-4-(3-methyl-2-oxoimidazolidin-1-yl)butanamide
CID 62490976
N-[4-(aminomethyl)phenyl]-3-(2-methylpyrrolidin-1-yl)propanamide
CID 54882030
N-(5-amino-2-methylphenyl)-3-(2-methylpyrrolidin-1-yl)propanamide
CID 54881990
N-(3-aminophenyl)-3-(2-propylpiperidin-1-yl)propanamide
CID 83052120
N-(3-aminophenyl)-4-(3-methoxypyrrolidin-1-yl)butanamide
CID 103530969

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-4-(2-methylpyrrolidin-1-yl)butanamide?
The IUPAC name of N-(3-aminophenyl)-4-(2-methylpyrrolidin-1-yl)butanamide (CID 54881953) is N-(3-aminophenyl)-4-(2-methylpyrrolidin-1-yl)butanamide.
What is the SMILES notation for N-(3-aminophenyl)-4-(2-methylpyrrolidin-1-yl)butanamide?
The canonical SMILES for N-(3-aminophenyl)-4-(2-methylpyrrolidin-1-yl)butanamide is CC1CCCN1CCCC(=O)Nc1cccc(N)c1.
What is the InChIKey of N-(3-aminophenyl)-4-(2-methylpyrrolidin-1-yl)butanamide?
The InChIKey is SZKUWGBDSJPGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-12-5-3-9-18(12)10-4-8-15(19)17-14-7-2-6-13(16)11-14/h2,6-7,11-12H,3-5,8-10,16H2,1H3,(H,17,19).
What are the key properties of N-(3-aminophenyl)-4-(2-methylpyrrolidin-1-yl)butanamide?
N-(3-aminophenyl)-4-(2-methylpyrrolidin-1-yl)butanamide has a molecular weight of 261.37 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-4-(2-methylpyrrolidin-1-yl)butanamide is sourced from PubChem (CID 54881953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).