N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-3,4-dimethylbenzamide

C20H24N2O2 — CID 90595480

IUPACN-[4-(3-methoxypyrrolidin-1-yl)phenyl]-3,4-dimethylbenzamide
SMILESCOC1CCN(c2ccc(NC(=O)c3ccc(C)c(C)c3)cc2)C1
InChIInChI=1S/C20H24N2O2/c1-14-4-5-16(12-15(14)2)20(23)21-17-6-8-18(9-7-17)22-11-10-19(13-22)24-3/h4-9,12,19H,10-11,13H2,1-3H3,(H,21,23)
InChIKeyQPHLVDOGERFKBZ-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.78
Rot. Bonds4

About N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-3,4-dimethylbenzamide

N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-3,4-dimethylbenzamide (PubChem CID 90595480) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[4-(3-methoxypyrrolidin-1-yl)phenyl]-3,4-dimethylbenzamide
PubChem CID90595480
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC NameN-[4-(3-methoxypyrrolidin-1-yl)phenyl]-3,4-dimethylbenzamide
SMILESCOC1CCN(c2ccc(NC(=O)c3ccc(C)c(C)c3)cc2)C1
InChIInChI=1S/C20H24N2O2/c1-14-4-5-16(12-15(14)2)20(23)21-17-6-8-18(9-7-17)22-11-10-19(13-22)24-3/h4-9,12,19H,10-11,13H2,1-3H3,(H,21,23)
InChIKeyQPHLVDOGERFKBZ-UHFFFAOYSA-N
XLogP3.78
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.78
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

N-[4-(4-methoxypiperidin-1-yl)phenyl]-3,4-dimethylbenzamide
CID 90595860
N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide
CID 71809538
N-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]quinoxaline-6-carboxamide
CID 97427664
2,6-dimethoxy-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide
CID 90595303
4-bromo-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzamide
CID 121141656
N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-4-[(3-methylphenyl)sulfonylamino]benzamide
CID 90595351
N-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]cyclopropanecarboxamide
CID 97427532
N-[4-(3-methoxypiperidin-1-yl)phenyl]-1H-indole-5-carboxamide
CID 121141605
N-[4-(3-methoxypiperidin-1-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 121141464
N-[4-(4-methoxypiperidin-1-yl)phenyl]-1H-indole-6-carboxamide
CID 71809682
2-fluoro-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide
CID 71809546
3,4-dimethyl-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide
CID 6957323

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-3,4-dimethylbenzamide?
The IUPAC name of N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-3,4-dimethylbenzamide (CID 90595480) is N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-3,4-dimethylbenzamide is COC1CCN(c2ccc(NC(=O)c3ccc(C)c(C)c3)cc2)C1.
What is the InChIKey of N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-3,4-dimethylbenzamide?
The InChIKey is QPHLVDOGERFKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-14-4-5-16(12-15(14)2)20(23)21-17-6-8-18(9-7-17)22-11-10-19(13-22)24-3/h4-9,12,19H,10-11,13H2,1-3H3,(H,21,23).
What are the key properties of N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-3,4-dimethylbenzamide?
N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-3,4-dimethylbenzamide has a molecular weight of 324.42 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-3,4-dimethylbenzamide is sourced from PubChem (CID 90595480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).