N-[4-oxo-4-[(2S)-2-[(1R)-1-phenylpropyl]pyrrolidin-1-yl]butyl]benzamide

C24H30N2O2 — CID 95592208

IUPACN-[4-oxo-4-[(2S)-2-[(1R)-1-phenylpropyl]pyrrolidin-1-yl]butyl]benzamide
SMILESCC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCCNC(=O)c1ccccc1
InChIInChI=1S/C24H30N2O2/c1-2-21(19-11-5-3-6-12-19)22-15-10-18-26(22)23(27)16-9-17-25-24(28)20-13-7-4-8-14-20/h3-8,11-14,21-22H,2,9-10,15-18H2,1H3,(H,25,28)/t21-,22+/m1/s1
InChIKeyPZHHYRCEPIUUIP-YADHBBJMSA-N
MW378.52 g/mol
LogP4.38
Rot. Bonds8

About N-[4-oxo-4-[(2S)-2-[(1R)-1-phenylpropyl]pyrrolidin-1-yl]butyl]benzamide

N-[4-oxo-4-[(2S)-2-[(1R)-1-phenylpropyl]pyrrolidin-1-yl]butyl]benzamide (PubChem CID 95592208) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is N-[4-oxo-4-[(2S)-2-[(1R)-1-phenylpropyl]pyrrolidin-1-yl]butyl]benzamide.

Molecular Properties

Compound NameN-[4-oxo-4-[(2S)-2-[(1R)-1-phenylpropyl]pyrrolidin-1-yl]butyl]benzamide
PubChem CID95592208
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC NameN-[4-oxo-4-[(2S)-2-[(1R)-1-phenylpropyl]pyrrolidin-1-yl]butyl]benzamide
SMILESCC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCCNC(=O)c1ccccc1
InChIInChI=1S/C24H30N2O2/c1-2-21(19-11-5-3-6-12-19)22-15-10-18-26(22)23(27)16-9-17-25-24(28)20-13-7-4-8-14-20/h3-8,11-14,21-22H,2,9-10,15-18H2,1H3,(H,25,28)/t21-,22+/m1/s1
InChIKeyPZHHYRCEPIUUIP-YADHBBJMSA-N
XLogP4.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N-[4-oxo-4-[(2S)-2-[(1R)-1-phenylpropyl]pyrrolidin-1-yl]butyl]benzamide?
The IUPAC name of N-[4-oxo-4-[(2S)-2-[(1R)-1-phenylpropyl]pyrrolidin-1-yl]butyl]benzamide (CID 95592208) is N-[4-oxo-4-[(2S)-2-[(1R)-1-phenylpropyl]pyrrolidin-1-yl]butyl]benzamide.
What is the SMILES notation for N-[4-oxo-4-[(2S)-2-[(1R)-1-phenylpropyl]pyrrolidin-1-yl]butyl]benzamide?
The canonical SMILES for N-[4-oxo-4-[(2S)-2-[(1R)-1-phenylpropyl]pyrrolidin-1-yl]butyl]benzamide is CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCCNC(=O)c1ccccc1.
What is the InChIKey of N-[4-oxo-4-[(2S)-2-[(1R)-1-phenylpropyl]pyrrolidin-1-yl]butyl]benzamide?
The InChIKey is PZHHYRCEPIUUIP-YADHBBJMSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-2-21(19-11-5-3-6-12-19)22-15-10-18-26(22)23(27)16-9-17-25-24(28)20-13-7-4-8-14-20/h3-8,11-14,21-22H,2,9-10,15-18H2,1H3,(H,25,28)/t21-,22+/m1/s1.
What are the key properties of N-[4-oxo-4-[(2S)-2-[(1R)-1-phenylpropyl]pyrrolidin-1-yl]butyl]benzamide?
N-[4-oxo-4-[(2S)-2-[(1R)-1-phenylpropyl]pyrrolidin-1-yl]butyl]benzamide has a molecular weight of 378.52 g/mol, XLogP of 4.38, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-oxo-4-[(2S)-2-[(1R)-1-phenylpropyl]pyrrolidin-1-yl]butyl]benzamide is sourced from PubChem (CID 95592208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).