N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]oxolane-2-carboxamide

C20H29N3O2 — CID 72547218

IUPACN-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]oxolane-2-carboxamide
SMILESCC1CCCN1C1CCN(c2ccc(NC(=O)C3CCCO3)cc2)C1
InChIInChI=1S/C20H29N3O2/c1-15-4-2-11-23(15)18-10-12-22(14-18)17-8-6-16(7-9-17)21-20(24)19-5-3-13-25-19/h6-9,15,18-19H,2-5,10-14H2,1H3,(H,21,24)
InChIKeyHTKCUJOHGKJMCH-UHFFFAOYSA-N
MW343.47 g/mol
LogP2.87
Rot. Bonds4

About N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]oxolane-2-carboxamide

N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]oxolane-2-carboxamide (PubChem CID 72547218) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]oxolane-2-carboxamide
PubChem CID72547218
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC NameN-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]oxolane-2-carboxamide
SMILESCC1CCCN1C1CCN(c2ccc(NC(=O)C3CCCO3)cc2)C1
InChIInChI=1S/C20H29N3O2/c1-15-4-2-11-23(15)18-10-12-22(14-18)17-8-6-16(7-9-17)21-20(24)19-5-3-13-25-19/h6-9,15,18-19H,2-5,10-14H2,1H3,(H,21,24)
InChIKeyHTKCUJOHGKJMCH-UHFFFAOYSA-N
XLogP2.87
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.87
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 N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]oxolane-2-carboxamide (CID 72547218) is N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]oxolane-2-carboxamide is CC1CCCN1C1CCN(c2ccc(NC(=O)C3CCCO3)cc2)C1.
What is the InChIKey of N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]oxolane-2-carboxamide?
The InChIKey is HTKCUJOHGKJMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-15-4-2-11-23(15)18-10-12-22(14-18)17-8-6-16(7-9-17)21-20(24)19-5-3-13-25-19/h6-9,15,18-19H,2-5,10-14H2,1H3,(H,21,24).
What are the key properties of N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]oxolane-2-carboxamide?
N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]oxolane-2-carboxamide has a molecular weight of 343.47 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 72547218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).