3-(dimethylamino)-N-methyl-N-[1-(3-phenylpropyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide

C21H34N4O — CID 58689206

IUPAC3-(dimethylamino)-N-methyl-N-[1-(3-phenylpropyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide
SMILESCN(C)C1CCN(C(=O)N(C)C2CCN(CCCc3ccccc3)C2)C1
InChIInChI=1S/C21H34N4O/c1-22(2)19-12-15-25(17-19)21(26)23(3)20-11-14-24(16-20)13-7-10-18-8-5-4-6-9-18/h4-6,8-9,19-20H,7,10-17H2,1-3H3
InChIKeyJLHYZYXXLQFKPS-UHFFFAOYSA-N
MW358.53 g/mol
LogP2.38
Rot. Bonds6

About 3-(dimethylamino)-N-methyl-N-[1-(3-phenylpropyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide

3-(dimethylamino)-N-methyl-N-[1-(3-phenylpropyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide (PubChem CID 58689206) has the molecular formula C21H34N4O and a molecular weight of 358.53 g/mol. Its IUPAC name is 3-(dimethylamino)-N-methyl-N-[1-(3-phenylpropyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-methyl-N-[1-(3-phenylpropyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide
PubChem CID58689206
Molecular FormulaC21H34N4O
Molecular Weight358.53 g/mol
Exact Mass358.27
IUPAC Name3-(dimethylamino)-N-methyl-N-[1-(3-phenylpropyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide
SMILESCN(C)C1CCN(C(=O)N(C)C2CCN(CCCc3ccccc3)C2)C1
InChIInChI=1S/C21H34N4O/c1-22(2)19-12-15-25(17-19)21(26)23(3)20-11-14-24(16-20)13-7-10-18-8-5-4-6-9-18/h4-6,8-9,19-20H,7,10-17H2,1-3H3
InChIKeyJLHYZYXXLQFKPS-UHFFFAOYSA-N
XLogP2.38
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(dimethylamino)-N-methyl-N-[1-(3-phenylpropyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(S)-2-pyrrolidin-1-ylmethyl-pyrrolidine-1-carboxylic acid biphenyl-4-ylmethyl-methyl-amide
CID 44418464
(4-isopropylpiperazin-1-yl)(4-phenyl-5,6-dihydropyridin-1(2H)-yl)methanone
CID 44418499
(S)-N-benzyl-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 44418526
(S)-N-(4-(aminomethyl)benzyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 44418536
(S)-N-phenethyl-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 44418549
(3aR,6aR)-N,N-dimethyl-4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
CID 44560386
US10343992, Example 207
CID 122590561
US10343992, Example 189
CID 122590629
N-((R)-1-cyanopyrrolidin-3-yl)-3-phenylpyrrolidine-1-carboxamide
CID 122590666
US10343992, Example 193
CID 122590925
(4s,5s)-1,3-Diallyl-4,5-bis[(1s)-1-fluoro-2-phenyl-ethyl]imidazolidin-2-one
CID 468454
3-Benzyl-1-ethyl-4-phenylimidazolidin-2-one
CID 57000

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-methyl-N-[1-(3-phenylpropyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide?
The IUPAC name of 3-(dimethylamino)-N-methyl-N-[1-(3-phenylpropyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide (CID 58689206) is 3-(dimethylamino)-N-methyl-N-[1-(3-phenylpropyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(dimethylamino)-N-methyl-N-[1-(3-phenylpropyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(dimethylamino)-N-methyl-N-[1-(3-phenylpropyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide is CN(C)C1CCN(C(=O)N(C)C2CCN(CCCc3ccccc3)C2)C1.
What is the InChIKey of 3-(dimethylamino)-N-methyl-N-[1-(3-phenylpropyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide?
The InChIKey is JLHYZYXXLQFKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O/c1-22(2)19-12-15-25(17-19)21(26)23(3)20-11-14-24(16-20)13-7-10-18-8-5-4-6-9-18/h4-6,8-9,19-20H,7,10-17H2,1-3H3.
What are the key properties of 3-(dimethylamino)-N-methyl-N-[1-(3-phenylpropyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide?
3-(dimethylamino)-N-methyl-N-[1-(3-phenylpropyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide has a molecular weight of 358.53 g/mol, XLogP of 2.38, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-methyl-N-[1-(3-phenylpropyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 58689206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).