3-methyl-N-(3-phenylmethoxypropyl)pyrrolidine-3-carboxamide

C16H24N2O2 — CID 63141357

IUPAC3-methyl-N-(3-phenylmethoxypropyl)pyrrolidine-3-carboxamide
SMILESCC1(C(=O)NCCCOCc2ccccc2)CCNC1
InChIInChI=1S/C16H24N2O2/c1-16(8-10-17-13-16)15(19)18-9-5-11-20-12-14-6-3-2-4-7-14/h2-4,6-7,17H,5,8-13H2,1H3,(H,18,19)
InChIKeyKIHWFGKIMQYODM-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.71
Rot. Bonds7

About 3-methyl-N-(3-phenylmethoxypropyl)pyrrolidine-3-carboxamide

3-methyl-N-(3-phenylmethoxypropyl)pyrrolidine-3-carboxamide (PubChem CID 63141357) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-methyl-N-(3-phenylmethoxypropyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(3-phenylmethoxypropyl)pyrrolidine-3-carboxamide
PubChem CID63141357
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3-methyl-N-(3-phenylmethoxypropyl)pyrrolidine-3-carboxamide
SMILESCC1(C(=O)NCCCOCc2ccccc2)CCNC1
InChIInChI=1S/C16H24N2O2/c1-16(8-10-17-13-16)15(19)18-9-5-11-20-12-14-6-3-2-4-7-14/h2-4,6-7,17H,5,8-13H2,1H3,(H,18,19)
InChIKeyKIHWFGKIMQYODM-UHFFFAOYSA-N
XLogP1.71
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3-phenylmethoxypropyl)pyrrolidine-3-carboxamide?
The IUPAC name of 3-methyl-N-(3-phenylmethoxypropyl)pyrrolidine-3-carboxamide (CID 63141357) is 3-methyl-N-(3-phenylmethoxypropyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-methyl-N-(3-phenylmethoxypropyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 3-methyl-N-(3-phenylmethoxypropyl)pyrrolidine-3-carboxamide is CC1(C(=O)NCCCOCc2ccccc2)CCNC1.
What is the InChIKey of 3-methyl-N-(3-phenylmethoxypropyl)pyrrolidine-3-carboxamide?
The InChIKey is KIHWFGKIMQYODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-16(8-10-17-13-16)15(19)18-9-5-11-20-12-14-6-3-2-4-7-14/h2-4,6-7,17H,5,8-13H2,1H3,(H,18,19).
What are the key properties of 3-methyl-N-(3-phenylmethoxypropyl)pyrrolidine-3-carboxamide?
3-methyl-N-(3-phenylmethoxypropyl)pyrrolidine-3-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 1.71, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-phenylmethoxypropyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63141357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).