3-[4-(dimethylamino)phenyl]-N-(1-methylpyrrolidin-3-yl)propanamide

C16H25N3O — CID 110473838

IUPAC3-[4-(dimethylamino)phenyl]-N-(1-methylpyrrolidin-3-yl)propanamide
SMILESCN1CCC(NC(=O)CCc2ccc(N(C)C)cc2)C1
InChIInChI=1S/C16H25N3O/c1-18(2)15-7-4-13(5-8-15)6-9-16(20)17-14-10-11-19(3)12-14/h4-5,7-8,14H,6,9-12H2,1-3H3,(H,17,20)
InChIKeyHJCAJORKZZNOHA-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.51
Rot. Bonds5

About 3-[4-(dimethylamino)phenyl]-N-(1-methylpyrrolidin-3-yl)propanamide

3-[4-(dimethylamino)phenyl]-N-(1-methylpyrrolidin-3-yl)propanamide (PubChem CID 110473838) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 3-[4-(dimethylamino)phenyl]-N-(1-methylpyrrolidin-3-yl)propanamide.

Molecular Properties

Compound Name3-[4-(dimethylamino)phenyl]-N-(1-methylpyrrolidin-3-yl)propanamide
PubChem CID110473838
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name3-[4-(dimethylamino)phenyl]-N-(1-methylpyrrolidin-3-yl)propanamide
SMILESCN1CCC(NC(=O)CCc2ccc(N(C)C)cc2)C1
InChIInChI=1S/C16H25N3O/c1-18(2)15-7-4-13(5-8-15)6-9-16(20)17-14-10-11-19(3)12-14/h4-5,7-8,14H,6,9-12H2,1-3H3,(H,17,20)
InChIKeyHJCAJORKZZNOHA-UHFFFAOYSA-N
XLogP1.51
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

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CID 114549618
3-[4-(dimethylamino)phenyl]-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide
CID 91791895
3-(3-fluorophenyl)-N-(1-methylpyrrolidin-3-yl)propanamide
CID 110737633
3-[4-(dimethylamino)phenyl]-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]propanamide
CID 91761249
N-(1-methylpyrrolidin-3-yl)butanamide
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N-[2-[4-(dimethylamino)phenyl]ethyl]-3-[(3R)-1-methylpiperidin-3-yl]propanamide
CID 97190017
3-amino-N-(1-methylpyrrolidin-3-yl)propanamide
CID 61465444
3-(4-aminophenyl)-N-(1-methyl-6-oxopiperidin-3-yl)propanamide
CID 64655886
4-hydroxy-N-(1-methylpyrrolidin-3-yl)butanamide
CID 79192658
5-[(1-methylpyrrolidin-3-yl)amino]-5-oxopentanoic acid
CID 61462313
4-[3-(4-chlorophenyl)propanoylamino]-N,N-dimethylpiperidine-1-carboxamide
CID 108562341
N-(1-methylpiperidin-4-yl)-4-phenylbutanamide
CID 2971184

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)phenyl]-N-(1-methylpyrrolidin-3-yl)propanamide?
The IUPAC name of 3-[4-(dimethylamino)phenyl]-N-(1-methylpyrrolidin-3-yl)propanamide (CID 110473838) is 3-[4-(dimethylamino)phenyl]-N-(1-methylpyrrolidin-3-yl)propanamide.
What is the SMILES notation for 3-[4-(dimethylamino)phenyl]-N-(1-methylpyrrolidin-3-yl)propanamide?
The canonical SMILES for 3-[4-(dimethylamino)phenyl]-N-(1-methylpyrrolidin-3-yl)propanamide is CN1CCC(NC(=O)CCc2ccc(N(C)C)cc2)C1.
What is the InChIKey of 3-[4-(dimethylamino)phenyl]-N-(1-methylpyrrolidin-3-yl)propanamide?
The InChIKey is HJCAJORKZZNOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-18(2)15-7-4-13(5-8-15)6-9-16(20)17-14-10-11-19(3)12-14/h4-5,7-8,14H,6,9-12H2,1-3H3,(H,17,20).
What are the key properties of 3-[4-(dimethylamino)phenyl]-N-(1-methylpyrrolidin-3-yl)propanamide?
3-[4-(dimethylamino)phenyl]-N-(1-methylpyrrolidin-3-yl)propanamide has a molecular weight of 275.40 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)phenyl]-N-(1-methylpyrrolidin-3-yl)propanamide is sourced from PubChem (CID 110473838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).