N-[(1-phenylpyrrolidin-2-yl)methyl]-9H-xanthene-9-carboxamide

C25H24N2O2 — CID 90619794

IUPACN-[(1-phenylpyrrolidin-2-yl)methyl]-9H-xanthene-9-carboxamide
SMILESO=C(NCC1CCCN1c1ccccc1)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C25H24N2O2/c28-25(26-17-19-11-8-16-27(19)18-9-2-1-3-10-18)24-20-12-4-6-14-22(20)29-23-15-7-5-13-21(23)24/h1-7,9-10,12-15,19,24H,8,11,16-17H2,(H,26,28)
InChIKeyOYZGEOBPYFEWCE-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.71
Rot. Bonds4

About N-[(1-phenylpyrrolidin-2-yl)methyl]-9H-xanthene-9-carboxamide

N-[(1-phenylpyrrolidin-2-yl)methyl]-9H-xanthene-9-carboxamide (PubChem CID 90619794) has the molecular formula C25H24N2O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[(1-phenylpyrrolidin-2-yl)methyl]-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-[(1-phenylpyrrolidin-2-yl)methyl]-9H-xanthene-9-carboxamide
PubChem CID90619794
Molecular FormulaC25H24N2O2
Molecular Weight384.48 g/mol
Exact Mass384.18
IUPAC NameN-[(1-phenylpyrrolidin-2-yl)methyl]-9H-xanthene-9-carboxamide
SMILESO=C(NCC1CCCN1c1ccccc1)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C25H24N2O2/c28-25(26-17-19-11-8-16-27(19)18-9-2-1-3-10-18)24-20-12-4-6-14-22(20)29-23-15-7-5-13-21(23)24/h1-7,9-10,12-15,19,24H,8,11,16-17H2,(H,26,28)
InChIKeyOYZGEOBPYFEWCE-UHFFFAOYSA-N
XLogP4.71
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]cyclobutanecarboxamide
CID 99903438
(1R)-N-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]cyclohex-3-ene-1-carboxamide
CID 99903505
2-cyclopentyl-N-[(1-phenylpyrrolidin-2-yl)methyl]acetamide
CID 90619739
N-[(1-phenylpyrrolidin-2-yl)methyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 90619889
2-bromo-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide
CID 73168268
1-(2-phenylethyl)-3-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]urea
CID 99903541
2-ethoxy-N-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]acetamide
CID 99903447
2-(2-chlorophenyl)-N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]acetamide
CID 99883040
2-naphthalen-1-yl-N-[(1-phenylpyrrolidin-2-yl)methyl]acetamide
CID 90619918
2-(1-adamantyl)-N-[(1-phenylpyrrolidin-2-yl)methyl]acetamide
CID 90619858
N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-9H-xanthene-9-carboxamide
CID 9049776
N-[(2R)-2-pyrrolidin-1-ylpropyl]-9H-xanthene-9-carboxamide
CID 94100172

Frequently Asked Questions

What is the IUPAC name of N-[(1-phenylpyrrolidin-2-yl)methyl]-9H-xanthene-9-carboxamide?
The IUPAC name of N-[(1-phenylpyrrolidin-2-yl)methyl]-9H-xanthene-9-carboxamide (CID 90619794) is N-[(1-phenylpyrrolidin-2-yl)methyl]-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-[(1-phenylpyrrolidin-2-yl)methyl]-9H-xanthene-9-carboxamide?
The canonical SMILES for N-[(1-phenylpyrrolidin-2-yl)methyl]-9H-xanthene-9-carboxamide is O=C(NCC1CCCN1c1ccccc1)C1c2ccccc2Oc2ccccc21.
What is the InChIKey of N-[(1-phenylpyrrolidin-2-yl)methyl]-9H-xanthene-9-carboxamide?
The InChIKey is OYZGEOBPYFEWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O2/c28-25(26-17-19-11-8-16-27(19)18-9-2-1-3-10-18)24-20-12-4-6-14-22(20)29-23-15-7-5-13-21(23)24/h1-7,9-10,12-15,19,24H,8,11,16-17H2,(H,26,28).
What are the key properties of N-[(1-phenylpyrrolidin-2-yl)methyl]-9H-xanthene-9-carboxamide?
N-[(1-phenylpyrrolidin-2-yl)methyl]-9H-xanthene-9-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-phenylpyrrolidin-2-yl)methyl]-9H-xanthene-9-carboxamide is sourced from PubChem (CID 90619794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).