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

C25H34N4O — CID 59401894

IUPAC3-(dimethylamino)-N-[3-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]benzamide
SMILESCc1cc(NC(=O)c2cccc(N(C)C)c2)ccc1N1CCC(N2CCCC2C)C1
InChIInChI=1S/C25H34N4O/c1-18-15-21(26-25(30)20-8-5-9-22(16-20)27(3)4)10-11-24(18)28-14-12-23(17-28)29-13-6-7-19(29)2/h5,8-11,15-16,19,23H,6-7,12-14,17H2,1-4H3,(H,26,30)
InChIKeyHPLIKJDUHCEQDN-UHFFFAOYSA-N
MW406.57 g/mol
LogP4.38
Rot. Bonds5

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

3-(dimethylamino)-N-[3-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]benzamide (PubChem CID 59401894) has the molecular formula C25H34N4O and a molecular weight of 406.57 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[3-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[3-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]benzamide
PubChem CID59401894
Molecular FormulaC25H34N4O
Molecular Weight406.57 g/mol
Exact Mass406.27
IUPAC Name3-(dimethylamino)-N-[3-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]benzamide
SMILESCc1cc(NC(=O)c2cccc(N(C)C)c2)ccc1N1CCC(N2CCCC2C)C1
InChIInChI=1S/C25H34N4O/c1-18-15-21(26-25(30)20-8-5-9-22(16-20)27(3)4)10-11-24(18)28-14-12-23(17-28)29-13-6-7-19(29)2/h5,8-11,15-16,19,23H,6-7,12-14,17H2,1-4H3,(H,26,30)
InChIKeyHPLIKJDUHCEQDN-UHFFFAOYSA-N
XLogP4.38
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.57
LogP ≤ 54.38
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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Related Compounds

5-methyl-N-[3-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]-1H-pyrazole-3-carboxamide
CID 25265239
oxan-4-yl N-[3-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]carbamate
CID 67403663
3-(dimethylamino)-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]-2-(trifluoromethyl)phenyl]benzamide;2,2,2-trifluoroacetic acid
CID 87386069
N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 59401884
(5-methyl-1H-pyrazol-3-yl) N-[3-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]carbamate
CID 67405231
N-[3-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]-3-phenylprop-2-ynamide;2,2,2-trifluoroacetic acid
CID 67401581
1-cyclohexyl-3-[3-ethenyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]urea
CID 163839852
2,4-dimethyl-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]benzamide
CID 59401862
(E)-N-[3-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]-3-pyridin-3-ylprop-2-enamide;2,2,2-trifluoroacetic acid
CID 67400803
5-benzamido-2-[(3R)-3-methylpiperidin-1-yl]benzoic acid
CID 94083660
3-(dimethylamino)-N-(4-methoxy-3-methylphenyl)benzamide
CID 87032363
3-(dimethylamino)-N-(4-methylphenyl)benzamide
CID 7899886

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[3-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]benzamide?
The IUPAC name of 3-(dimethylamino)-N-[3-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]benzamide (CID 59401894) is 3-(dimethylamino)-N-[3-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-[3-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]benzamide?
The canonical SMILES for 3-(dimethylamino)-N-[3-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]benzamide is Cc1cc(NC(=O)c2cccc(N(C)C)c2)ccc1N1CCC(N2CCCC2C)C1.
What is the InChIKey of 3-(dimethylamino)-N-[3-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]benzamide?
The InChIKey is HPLIKJDUHCEQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O/c1-18-15-21(26-25(30)20-8-5-9-22(16-20)27(3)4)10-11-24(18)28-14-12-23(17-28)29-13-6-7-19(29)2/h5,8-11,15-16,19,23H,6-7,12-14,17H2,1-4H3,(H,26,30).
What are the key properties of 3-(dimethylamino)-N-[3-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]benzamide?
3-(dimethylamino)-N-[3-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]benzamide has a molecular weight of 406.57 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[3-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]benzamide is sourced from PubChem (CID 59401894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).