2-propan-2-yl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]oxolane-3-carboxamide

C20H30N2O2 — CID 122148757

IUPAC2-propan-2-yl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]oxolane-3-carboxamide
SMILESCC(C)C1OCCC1C(=O)NCc1cccc(CN2CCCC2)c1
InChIInChI=1S/C20H30N2O2/c1-15(2)19-18(8-11-24-19)20(23)21-13-16-6-5-7-17(12-16)14-22-9-3-4-10-22/h5-7,12,15,18-19H,3-4,8-11,13-14H2,1-2H3,(H,21,23)
InChIKeyJUNFRAJVWPUQBW-UHFFFAOYSA-N
MW330.47 g/mol
LogP2.96
Rot. Bonds6

About 2-propan-2-yl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]oxolane-3-carboxamide

2-propan-2-yl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]oxolane-3-carboxamide (PubChem CID 122148757) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 2-propan-2-yl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name2-propan-2-yl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]oxolane-3-carboxamide
PubChem CID122148757
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name2-propan-2-yl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]oxolane-3-carboxamide
SMILESCC(C)C1OCCC1C(=O)NCc1cccc(CN2CCCC2)c1
InChIInChI=1S/C20H30N2O2/c1-15(2)19-18(8-11-24-19)20(23)21-13-16-6-5-7-17(12-16)14-22-9-3-4-10-22/h5-7,12,15,18-19H,3-4,8-11,13-14H2,1-2H3,(H,21,23)
InChIKeyJUNFRAJVWPUQBW-UHFFFAOYSA-N
XLogP2.96
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 43917846
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]oxolane-2-carboxamide
CID 51090955
1-ethylsulfonyl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
CID 39690338
1-[(4-methylphenyl)methyl]-N-[[3-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
CID 43917625
N-[[3-(azepan-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 119867361
3-amino-2-methyl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide;dihydrochloride
CID 120502898
3-amino-N-[[3-(azepan-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 119867333
N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide;dihydrochloride
CID 119847231
(2R)-2-phenoxy-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 94099373
1-[(3-bromophenyl)methyl]-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 43917480
1-methylsulfonyl-N-[[3-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 133190377
N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43917450

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]oxolane-3-carboxamide?
The IUPAC name of 2-propan-2-yl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]oxolane-3-carboxamide (CID 122148757) is 2-propan-2-yl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]oxolane-3-carboxamide.
What is the SMILES notation for 2-propan-2-yl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]oxolane-3-carboxamide?
The canonical SMILES for 2-propan-2-yl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]oxolane-3-carboxamide is CC(C)C1OCCC1C(=O)NCc1cccc(CN2CCCC2)c1.
What is the InChIKey of 2-propan-2-yl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]oxolane-3-carboxamide?
The InChIKey is JUNFRAJVWPUQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-15(2)19-18(8-11-24-19)20(23)21-13-16-6-5-7-17(12-16)14-22-9-3-4-10-22/h5-7,12,15,18-19H,3-4,8-11,13-14H2,1-2H3,(H,21,23).
What are the key properties of 2-propan-2-yl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]oxolane-3-carboxamide?
2-propan-2-yl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]oxolane-3-carboxamide has a molecular weight of 330.47 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]oxolane-3-carboxamide is sourced from PubChem (CID 122148757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).