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

C24H32N4O — CID 59401767

IUPAC4-(dimethylamino)-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]benzamide
SMILESCC1CCCN1C1CCN(c2ccc(NC(=O)c3ccc(N(C)C)cc3)cc2)C1
InChIInChI=1S/C24H32N4O/c1-18-5-4-15-28(18)23-14-16-27(17-23)22-12-8-20(9-13-22)25-24(29)19-6-10-21(11-7-19)26(2)3/h6-13,18,23H,4-5,14-17H2,1-3H3,(H,25,29)
InChIKeyPLOHAMWJMYYAHV-UHFFFAOYSA-N
MW392.55 g/mol
LogP4.07
Rot. Bonds5

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

4-(dimethylamino)-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]benzamide (PubChem CID 59401767) has the molecular formula C24H32N4O and a molecular weight of 392.55 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]benzamide
PubChem CID59401767
Molecular FormulaC24H32N4O
Molecular Weight392.55 g/mol
Exact Mass392.26
IUPAC Name4-(dimethylamino)-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]benzamide
SMILESCC1CCCN1C1CCN(c2ccc(NC(=O)c3ccc(N(C)C)cc3)cc2)C1
InChIInChI=1S/C24H32N4O/c1-18-5-4-15-28(18)23-14-16-27(17-23)22-12-8-20(9-13-22)25-24(29)19-6-10-21(11-7-19)26(2)3/h6-13,18,23H,4-5,14-17H2,1-3H3,(H,25,29)
InChIKeyPLOHAMWJMYYAHV-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 4-(dimethylamino)-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]benzamide?
The IUPAC name of 4-(dimethylamino)-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]benzamide (CID 59401767) is 4-(dimethylamino)-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]benzamide?
The canonical SMILES for 4-(dimethylamino)-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]benzamide is CC1CCCN1C1CCN(c2ccc(NC(=O)c3ccc(N(C)C)cc3)cc2)C1.
What is the InChIKey of 4-(dimethylamino)-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]benzamide?
The InChIKey is PLOHAMWJMYYAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O/c1-18-5-4-15-28(18)23-14-16-27(17-23)22-12-8-20(9-13-22)25-24(29)19-6-10-21(11-7-19)26(2)3/h6-13,18,23H,4-5,14-17H2,1-3H3,(H,25,29).
What are the key properties of 4-(dimethylamino)-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]benzamide?
4-(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 4-(dimethylamino)-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]benzamide is sourced from PubChem (CID 59401767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).