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

C20H29N3O — CID 25264655

IUPACN-[2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]cyclopropanecarboxamide
SMILESCc1cc(N2CCC(N3CCCC3C)C2)ccc1NC(=O)C1CC1
InChIInChI=1S/C20H29N3O/c1-14-12-17(7-8-19(14)21-20(24)16-5-6-16)22-11-9-18(13-22)23-10-3-4-15(23)2/h7-8,12,15-16,18H,3-6,9-11,13H2,1-2H3,(H,21,24)
InChIKeyJEVMXLNQHLYXIY-UHFFFAOYSA-N
MW327.47 g/mol
LogP3.41
Rot. Bonds4

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

N-[2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]cyclopropanecarboxamide (PubChem CID 25264655) has the molecular formula C20H29N3O and a molecular weight of 327.47 g/mol. Its IUPAC name is N-[2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]cyclopropanecarboxamide
PubChem CID25264655
Molecular FormulaC20H29N3O
Molecular Weight327.47 g/mol
Exact Mass327.23
IUPAC NameN-[2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]cyclopropanecarboxamide
SMILESCc1cc(N2CCC(N3CCCC3C)C2)ccc1NC(=O)C1CC1
InChIInChI=1S/C20H29N3O/c1-14-12-17(7-8-19(14)21-20(24)16-5-6-16)22-11-9-18(13-22)23-10-3-4-15(23)2/h7-8,12,15-16,18H,3-6,9-11,13H2,1-2H3,(H,21,24)
InChIKeyJEVMXLNQHLYXIY-UHFFFAOYSA-N
XLogP3.41
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 53.41
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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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]cyclopropanecarboxamide (CID 25264655) is N-[2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]cyclopropanecarboxamide is Cc1cc(N2CCC(N3CCCC3C)C2)ccc1NC(=O)C1CC1.
What is the InChIKey of N-[2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]cyclopropanecarboxamide?
The InChIKey is JEVMXLNQHLYXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O/c1-14-12-17(7-8-19(14)21-20(24)16-5-6-16)22-11-9-18(13-22)23-10-3-4-15(23)2/h7-8,12,15-16,18H,3-6,9-11,13H2,1-2H3,(H,21,24).
What are the key properties of N-[2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]cyclopropanecarboxamide?
N-[2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]cyclopropanecarboxamide has a molecular weight of 327.47 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 25264655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).