N-(3-methylphenyl)-2-(4-pyrrolidin-1-ylphenyl)acetamide

C19H22N2O — CID 110649572

IUPACN-(3-methylphenyl)-2-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESCc1cccc(NC(=O)Cc2ccc(N3CCCC3)cc2)c1
InChIInChI=1S/C19H22N2O/c1-15-5-4-6-17(13-15)20-19(22)14-16-7-9-18(10-8-16)21-11-2-3-12-21/h4-10,13H,2-3,11-12,14H2,1H3,(H,20,22)
InChIKeyYFSIAVCQLMLVHG-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.78
Rot. Bonds4

About N-(3-methylphenyl)-2-(4-pyrrolidin-1-ylphenyl)acetamide

N-(3-methylphenyl)-2-(4-pyrrolidin-1-ylphenyl)acetamide (PubChem CID 110649572) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-(4-pyrrolidin-1-ylphenyl)acetamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-(4-pyrrolidin-1-ylphenyl)acetamide
PubChem CID110649572
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC NameN-(3-methylphenyl)-2-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESCc1cccc(NC(=O)Cc2ccc(N3CCCC3)cc2)c1
InChIInChI=1S/C19H22N2O/c1-15-5-4-6-17(13-15)20-19(22)14-16-7-9-18(10-8-16)21-11-2-3-12-21/h4-10,13H,2-3,11-12,14H2,1H3,(H,20,22)
InChIKeyYFSIAVCQLMLVHG-UHFFFAOYSA-N
XLogP3.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-methylphenyl)-N-(4-piperidin-1-ylphenyl)propanediamide
CID 108953051
N-[4-(azepan-1-yl)phenyl]-2-(4-methylphenyl)acetamide
CID 112985752
3-(3-methylanilino)-N-(4-piperidin-1-ylphenyl)propanamide
CID 109034292
N-(3-methylphenyl)-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide
CID 113111218
2-[4-(aminomethyl)phenyl]-N-(3-methylphenyl)acetamide
CID 63590654
N-(3-methylphenyl)-2-(N-methylsulfonyl-4-pyrrolidin-1-ylanilino)acetamide
CID 113156289
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110409810
N-[4-(azepan-1-yl)phenyl]-2-phenylacetamide
CID 16620353
N-(4-acetylphenyl)-2-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110409479
2-(azocan-1-yl)-N-(3-methylphenyl)acetamide
CID 2655272
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide
CID 6466210
2-(4-fluorophenyl)-N-[4-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]phenyl]acetamide
CID 1057942

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-(4-pyrrolidin-1-ylphenyl)acetamide?
The IUPAC name of N-(3-methylphenyl)-2-(4-pyrrolidin-1-ylphenyl)acetamide (CID 110649572) is N-(3-methylphenyl)-2-(4-pyrrolidin-1-ylphenyl)acetamide.
What is the SMILES notation for N-(3-methylphenyl)-2-(4-pyrrolidin-1-ylphenyl)acetamide?
The canonical SMILES for N-(3-methylphenyl)-2-(4-pyrrolidin-1-ylphenyl)acetamide is Cc1cccc(NC(=O)Cc2ccc(N3CCCC3)cc2)c1.
What is the InChIKey of N-(3-methylphenyl)-2-(4-pyrrolidin-1-ylphenyl)acetamide?
The InChIKey is YFSIAVCQLMLVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-15-5-4-6-17(13-15)20-19(22)14-16-7-9-18(10-8-16)21-11-2-3-12-21/h4-10,13H,2-3,11-12,14H2,1H3,(H,20,22).
What are the key properties of N-(3-methylphenyl)-2-(4-pyrrolidin-1-ylphenyl)acetamide?
N-(3-methylphenyl)-2-(4-pyrrolidin-1-ylphenyl)acetamide has a molecular weight of 294.40 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-(4-pyrrolidin-1-ylphenyl)acetamide is sourced from PubChem (CID 110649572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).