3-(2-aminophenyl)-N-[(1-ethylpyrrolidin-3-yl)methyl]propanamide

C16H25N3O — CID 60857376

IUPAC3-(2-aminophenyl)-N-[(1-ethylpyrrolidin-3-yl)methyl]propanamide
SMILESCCN1CCC(CNC(=O)CCc2ccccc2N)C1
InChIInChI=1S/C16H25N3O/c1-2-19-10-9-13(12-19)11-18-16(20)8-7-14-5-3-4-6-15(14)17/h3-6,13H,2,7-12,17H2,1H3,(H,18,20)
InChIKeyHOBOKZFAJNXQQL-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.66
Rot. Bonds6

About 3-(2-aminophenyl)-N-[(1-ethylpyrrolidin-3-yl)methyl]propanamide

3-(2-aminophenyl)-N-[(1-ethylpyrrolidin-3-yl)methyl]propanamide (PubChem CID 60857376) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[(1-ethylpyrrolidin-3-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[(1-ethylpyrrolidin-3-yl)methyl]propanamide
PubChem CID60857376
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name3-(2-aminophenyl)-N-[(1-ethylpyrrolidin-3-yl)methyl]propanamide
SMILESCCN1CCC(CNC(=O)CCc2ccccc2N)C1
InChIInChI=1S/C16H25N3O/c1-2-19-10-9-13(12-19)11-18-16(20)8-7-14-5-3-4-6-15(14)17/h3-6,13H,2,7-12,17H2,1H3,(H,18,20)
InChIKeyHOBOKZFAJNXQQL-UHFFFAOYSA-N
XLogP1.66
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.66
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

3-(2-aminophenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide
CID 120612518
3-(2-aminophenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]propanamide
CID 120612729
3-(2-aminophenyl)-N-(thian-4-ylmethyl)propanamide
CID 107273399
3-(2-aminophenyl)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 120612330
3-(2-aminophenyl)-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]propanamide;dihydrochloride
CID 120613450
3-(2-aminophenyl)-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]propanamide;dihydrochloride
CID 120613391
3-(2-aminophenyl)-N-[3-(4-methylpiperidin-1-yl)propyl]propanamide;dihydrochloride
CID 120612122
2-[[(1-ethylpiperidin-4-yl)methylamino]methyl]aniline
CID 66417480
2-[2-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]phenyl]acetic acid
CID 115461655
3-(2-aminophenyl)-N-[(2-hydroxycyclopentyl)methyl]propanamide
CID 107273176
2-(5-amino-2-oxo-1-pyridinyl)-N-[(1-ethylpyrrolidin-3-yl)methyl]acetamide
CID 62815992
3-(2-aminophenyl)-N-[(2-hydroxycyclohexyl)methyl]propanamide;hydrochloride
CID 120611060

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[(1-ethylpyrrolidin-3-yl)methyl]propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-[(1-ethylpyrrolidin-3-yl)methyl]propanamide (CID 60857376) is 3-(2-aminophenyl)-N-[(1-ethylpyrrolidin-3-yl)methyl]propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-[(1-ethylpyrrolidin-3-yl)methyl]propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-[(1-ethylpyrrolidin-3-yl)methyl]propanamide is CCN1CCC(CNC(=O)CCc2ccccc2N)C1.
What is the InChIKey of 3-(2-aminophenyl)-N-[(1-ethylpyrrolidin-3-yl)methyl]propanamide?
The InChIKey is HOBOKZFAJNXQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-2-19-10-9-13(12-19)11-18-16(20)8-7-14-5-3-4-6-15(14)17/h3-6,13H,2,7-12,17H2,1H3,(H,18,20).
What are the key properties of 3-(2-aminophenyl)-N-[(1-ethylpyrrolidin-3-yl)methyl]propanamide?
3-(2-aminophenyl)-N-[(1-ethylpyrrolidin-3-yl)methyl]propanamide has a molecular weight of 275.40 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-[(1-ethylpyrrolidin-3-yl)methyl]propanamide is sourced from PubChem (CID 60857376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).