3-(dimethylamino)-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]benzamide

C24H32N4O — CID 59401756

IUPAC3-(dimethylamino)-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]benzamide
SMILESCC1CCCN1C1CCN(c2ccc(NC(=O)c3cccc(N(C)C)c3)cc2)C1
InChIInChI=1S/C24H32N4O/c1-18-6-5-14-28(18)23-13-15-27(17-23)21-11-9-20(10-12-21)25-24(29)19-7-4-8-22(16-19)26(2)3/h4,7-12,16,18,23H,5-6,13-15,17H2,1-3H3,(H,25,29)
InChIKeyAXJXHEHQTGYGND-UHFFFAOYSA-N
MW392.55 g/mol
LogP4.07
Rot. Bonds5

About 3-(dimethylamino)-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]benzamide

3-(dimethylamino)-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]benzamide (PubChem CID 59401756) has the molecular formula C24H32N4O and a molecular weight of 392.55 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]benzamide
PubChem CID59401756
Molecular FormulaC24H32N4O
Molecular Weight392.55 g/mol
Exact Mass392.26
IUPAC Name3-(dimethylamino)-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]benzamide
SMILESCC1CCCN1C1CCN(c2ccc(NC(=O)c3cccc(N(C)C)c3)cc2)C1
InChIInChI=1S/C24H32N4O/c1-18-6-5-14-28(18)23-13-15-27(17-23)21-11-9-20(10-12-21)25-24(29)19-7-4-8-22(16-19)26(2)3/h4,7-12,16,18,23H,5-6,13-15,17H2,1-3H3,(H,25,29)
InChIKeyAXJXHEHQTGYGND-UHFFFAOYSA-N
XLogP4.07
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]benzamide?
The IUPAC name of 3-(dimethylamino)-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]benzamide (CID 59401756) is 3-(dimethylamino)-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]benzamide?
The canonical SMILES for 3-(dimethylamino)-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]benzamide is CC1CCCN1C1CCN(c2ccc(NC(=O)c3cccc(N(C)C)c3)cc2)C1.
What is the InChIKey of 3-(dimethylamino)-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]benzamide?
The InChIKey is AXJXHEHQTGYGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O/c1-18-6-5-14-28(18)23-13-15-27(17-23)21-11-9-20(10-12-21)25-24(29)19-7-4-8-22(16-19)26(2)3/h4,7-12,16,18,23H,5-6,13-15,17H2,1-3H3,(H,25,29).
What are the key properties of 3-(dimethylamino)-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]benzamide?
3-(dimethylamino)-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]benzamide has a molecular weight of 392.55 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]benzamide is sourced from PubChem (CID 59401756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).