N-(4-pyrrolidin-1-ylphenyl)-2-(N,2,5-trimethylanilino)acetamide

C21H27N3O — CID 52689165

IUPACN-(4-pyrrolidin-1-ylphenyl)-2-(N,2,5-trimethylanilino)acetamide
SMILESCc1ccc(C)c(N(C)CC(=O)Nc2ccc(N3CCCC3)cc2)c1
InChIInChI=1S/C21H27N3O/c1-16-6-7-17(2)20(14-16)23(3)15-21(25)22-18-8-10-19(11-9-18)24-12-4-5-13-24/h6-11,14H,4-5,12-13,15H2,1-3H3,(H,22,25)
InChIKeyVFCKVNIFBYFPNU-UHFFFAOYSA-N
MW337.47 g/mol
LogP3.98
Rot. Bonds5

About N-(4-pyrrolidin-1-ylphenyl)-2-(N,2,5-trimethylanilino)acetamide

N-(4-pyrrolidin-1-ylphenyl)-2-(N,2,5-trimethylanilino)acetamide (PubChem CID 52689165) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is N-(4-pyrrolidin-1-ylphenyl)-2-(N,2,5-trimethylanilino)acetamide.

Molecular Properties

Compound NameN-(4-pyrrolidin-1-ylphenyl)-2-(N,2,5-trimethylanilino)acetamide
PubChem CID52689165
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC NameN-(4-pyrrolidin-1-ylphenyl)-2-(N,2,5-trimethylanilino)acetamide
SMILESCc1ccc(C)c(N(C)CC(=O)Nc2ccc(N3CCCC3)cc2)c1
InChIInChI=1S/C21H27N3O/c1-16-6-7-17(2)20(14-16)23(3)15-21(25)22-18-8-10-19(11-9-18)24-12-4-5-13-24/h6-11,14H,4-5,12-13,15H2,1-3H3,(H,22,25)
InChIKeyVFCKVNIFBYFPNU-UHFFFAOYSA-N
XLogP3.98
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-[(2,5-dimethylphenyl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8592750
3-(N-acetyl-2,4-dimethylanilino)-N-(4-piperidin-1-ylphenyl)propanamide
CID 113124259
2-(N-ethyl-3,5-dimethylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 52690468
2-(N-acetyl-3,5-dimethylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 113168582
N-[4-(azepan-1-yl)phenyl]-2-(4-methylphenyl)acetamide
CID 112985752
2-(diethylamino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 51178920
2-(N-acetyl-2,4-dimethylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 113168004
2-(2,5-dimethyl-N-methylsulfonylanilino)-N-(4-piperidin-1-ylphenyl)propanamide
CID 133166814
(2S)-2-(2,5-dimethyl-N-methylsulfonylanilino)-N-(4-piperidin-1-ylphenyl)butanamide
CID 100515418
N'-(3-methylphenyl)-N-(4-piperidin-1-ylphenyl)propanediamide
CID 108953051
2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-N-(4-piperidin-1-ylphenyl)acetamide
CID 46555969
2-[butyl(methyl)amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 109006153

Frequently Asked Questions

What is the IUPAC name of N-(4-pyrrolidin-1-ylphenyl)-2-(N,2,5-trimethylanilino)acetamide?
The IUPAC name of N-(4-pyrrolidin-1-ylphenyl)-2-(N,2,5-trimethylanilino)acetamide (CID 52689165) is N-(4-pyrrolidin-1-ylphenyl)-2-(N,2,5-trimethylanilino)acetamide.
What is the SMILES notation for N-(4-pyrrolidin-1-ylphenyl)-2-(N,2,5-trimethylanilino)acetamide?
The canonical SMILES for N-(4-pyrrolidin-1-ylphenyl)-2-(N,2,5-trimethylanilino)acetamide is Cc1ccc(C)c(N(C)CC(=O)Nc2ccc(N3CCCC3)cc2)c1.
What is the InChIKey of N-(4-pyrrolidin-1-ylphenyl)-2-(N,2,5-trimethylanilino)acetamide?
The InChIKey is VFCKVNIFBYFPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-16-6-7-17(2)20(14-16)23(3)15-21(25)22-18-8-10-19(11-9-18)24-12-4-5-13-24/h6-11,14H,4-5,12-13,15H2,1-3H3,(H,22,25).
What are the key properties of N-(4-pyrrolidin-1-ylphenyl)-2-(N,2,5-trimethylanilino)acetamide?
N-(4-pyrrolidin-1-ylphenyl)-2-(N,2,5-trimethylanilino)acetamide has a molecular weight of 337.47 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyrrolidin-1-ylphenyl)-2-(N,2,5-trimethylanilino)acetamide is sourced from PubChem (CID 52689165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).