3-phenyl-N-[(1-phenylcyclopentyl)methyl]propanamide

C21H25NO — CID 4895495

IUPAC3-phenyl-N-[(1-phenylcyclopentyl)methyl]propanamide
SMILESO=C(CCc1ccccc1)NCC1(c2ccccc2)CCCC1
InChIInChI=1S/C21H25NO/c23-20(14-13-18-9-3-1-4-10-18)22-17-21(15-7-8-16-21)19-11-5-2-6-12-19/h1-6,9-12H,7-8,13-17H2,(H,22,23)
InChIKeyYIKURAZYSURMEO-UHFFFAOYSA-N
MW307.44 g/mol
LogP4.25
Rot. Bonds6

About 3-phenyl-N-[(1-phenylcyclopentyl)methyl]propanamide

3-phenyl-N-[(1-phenylcyclopentyl)methyl]propanamide (PubChem CID 4895495) has the molecular formula C21H25NO and a molecular weight of 307.44 g/mol. Its IUPAC name is 3-phenyl-N-[(1-phenylcyclopentyl)methyl]propanamide.

Molecular Properties

Compound Name3-phenyl-N-[(1-phenylcyclopentyl)methyl]propanamide
PubChem CID4895495
Molecular FormulaC21H25NO
Molecular Weight307.44 g/mol
Exact Mass307.19
IUPAC Name3-phenyl-N-[(1-phenylcyclopentyl)methyl]propanamide
SMILESO=C(CCc1ccccc1)NCC1(c2ccccc2)CCCC1
InChIInChI=1S/C21H25NO/c23-20(14-13-18-9-3-1-4-10-18)22-17-21(15-7-8-16-21)19-11-5-2-6-12-19/h1-6,9-12H,7-8,13-17H2,(H,22,23)
InChIKeyYIKURAZYSURMEO-UHFFFAOYSA-N
XLogP4.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[(1-phenylcyclopentyl)methyl]propanamide?
The IUPAC name of 3-phenyl-N-[(1-phenylcyclopentyl)methyl]propanamide (CID 4895495) is 3-phenyl-N-[(1-phenylcyclopentyl)methyl]propanamide.
What is the SMILES notation for 3-phenyl-N-[(1-phenylcyclopentyl)methyl]propanamide?
The canonical SMILES for 3-phenyl-N-[(1-phenylcyclopentyl)methyl]propanamide is O=C(CCc1ccccc1)NCC1(c2ccccc2)CCCC1.
What is the InChIKey of 3-phenyl-N-[(1-phenylcyclopentyl)methyl]propanamide?
The InChIKey is YIKURAZYSURMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO/c23-20(14-13-18-9-3-1-4-10-18)22-17-21(15-7-8-16-21)19-11-5-2-6-12-19/h1-6,9-12H,7-8,13-17H2,(H,22,23).
What are the key properties of 3-phenyl-N-[(1-phenylcyclopentyl)methyl]propanamide?
3-phenyl-N-[(1-phenylcyclopentyl)methyl]propanamide has a molecular weight of 307.44 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[(1-phenylcyclopentyl)methyl]propanamide is sourced from PubChem (CID 4895495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).