N-methyl-4-(4-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)benzamide

C22H28N2O — CID 131950645

IUPACN-methyl-4-(4-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)benzamide
SMILESCc1ccc(-c2ccc(C(=O)N(C)CCCN3CCCC3)cc2)cc1
InChIInChI=1S/C22H28N2O/c1-18-6-8-19(9-7-18)20-10-12-21(13-11-20)22(25)23(2)14-5-17-24-15-3-4-16-24/h6-13H,3-5,14-17H2,1-2H3
InChIKeyACFPRNCIQBQYRN-UHFFFAOYSA-N
MW336.48 g/mol
LogP4.22
Rot. Bonds6

About N-methyl-4-(4-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)benzamide

N-methyl-4-(4-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)benzamide (PubChem CID 131950645) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is N-methyl-4-(4-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)benzamide.

Molecular Properties

Compound NameN-methyl-4-(4-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)benzamide
PubChem CID131950645
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC NameN-methyl-4-(4-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)benzamide
SMILESCc1ccc(-c2ccc(C(=O)N(C)CCCN3CCCC3)cc2)cc1
InChIInChI=1S/C22H28N2O/c1-18-6-8-19(9-7-18)20-10-12-21(13-11-20)22(25)23(2)14-5-17-24-15-3-4-16-24/h6-13H,3-5,14-17H2,1-2H3
InChIKeyACFPRNCIQBQYRN-UHFFFAOYSA-N
XLogP4.22
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 67379055
N-methyl-N-(2-piperidin-1-ylethyl)pyridine-4-carboxamide
CID 110753397
N-(5-bromopentyl)-N,4-dimethylbenzamide
CID 107206029
N-methyl-4-(1-methylimidazol-2-yl)-N-(4-morpholin-4-ylbutyl)benzamide
CID 119068731
N-butyl-N-methyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 20973673
N'-(4-methylphenyl)-N'-(3-pyrrolidin-1-ylpropyl)propane-1,3-diamine
CID 61494177
N,9-dimethyl-N-(4-piperidin-1-ylbutyl)carbazole-2-carboxamide
CID 59933143
1-(4-methylphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-one
CID 63207733
4-(4-hydroxypiperidin-1-yl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 111430881
3-(3-hydroxy-3-methylbutyl)-N-methyl-N-(3-piperidin-1-ylpropyl)benzamide
CID 70712928
4-[(4-ethylpiperazin-1-yl)methyl]-N-methyl-N-(2-piperidin-1-ylethyl)benzamide
CID 123169079
N,2,3-trimethyl-N-(2-pyrrolidin-1-ylethyl)quinoxaline-6-carboxamide
CID 110753524

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(4-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)benzamide?
The IUPAC name of N-methyl-4-(4-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)benzamide (CID 131950645) is N-methyl-4-(4-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)benzamide.
What is the SMILES notation for N-methyl-4-(4-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)benzamide?
The canonical SMILES for N-methyl-4-(4-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)benzamide is Cc1ccc(-c2ccc(C(=O)N(C)CCCN3CCCC3)cc2)cc1.
What is the InChIKey of N-methyl-4-(4-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)benzamide?
The InChIKey is ACFPRNCIQBQYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O/c1-18-6-8-19(9-7-18)20-10-12-21(13-11-20)22(25)23(2)14-5-17-24-15-3-4-16-24/h6-13H,3-5,14-17H2,1-2H3.
What are the key properties of N-methyl-4-(4-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)benzamide?
N-methyl-4-(4-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)benzamide has a molecular weight of 336.48 g/mol, XLogP of 4.22, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(4-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)benzamide is sourced from PubChem (CID 131950645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).