4-[[(1R,3S)-3-[(S)-hydroxy(phenyl)methyl]cyclopentyl]methyl]-N-methyl-N-[(1R)-2-methyl-1-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)propyl]benzamide

C28H35N3O4 — CID 158713396

IUPAC4-[[(1R,3S)-3-[(S)-hydroxy(phenyl)methyl]cyclopentyl]methyl]-N-methyl-N-[(1R)-2-methyl-1-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)propyl]benzamide
SMILESCC(C)[C@H](c1nn(C)c(=O)o1)N(C)C(=O)c1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)C2)cc1
InChIInChI=1S/C28H35N3O4/c1-18(2)24(26-29-31(4)28(34)35-26)30(3)27(33)22-13-10-19(11-14-22)16-20-12-15-23(17-20)25(32)21-8-6-5-7-9-21/h5-11,13-14,18,20,23-25,32H,12,15-17H2,1-4H3/t20-,23-,24+,25+/m0/s1
InChIKeyIIZVWCRXTZDXAB-MNPDLOSFSA-N
MW477.61 g/mol
LogP4.53
Rot. Bonds8

About 4-[[(1R,3S)-3-[(S)-hydroxy(phenyl)methyl]cyclopentyl]methyl]-N-methyl-N-[(1R)-2-methyl-1-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)propyl]benzamide

4-[[(1R,3S)-3-[(S)-hydroxy(phenyl)methyl]cyclopentyl]methyl]-N-methyl-N-[(1R)-2-methyl-1-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)propyl]benzamide (PubChem CID 158713396) has the molecular formula C28H35N3O4 and a molecular weight of 477.61 g/mol. Its IUPAC name is 4-[[(1R,3S)-3-[(S)-hydroxy(phenyl)methyl]cyclopentyl]methyl]-N-methyl-N-[(1R)-2-methyl-1-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)propyl]benzamide.

Molecular Properties

Compound Name4-[[(1R,3S)-3-[(S)-hydroxy(phenyl)methyl]cyclopentyl]methyl]-N-methyl-N-[(1R)-2-methyl-1-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)propyl]benzamide
PubChem CID158713396
Molecular FormulaC28H35N3O4
Molecular Weight477.61 g/mol
Exact Mass477.26
IUPAC Name4-[[(1R,3S)-3-[(S)-hydroxy(phenyl)methyl]cyclopentyl]methyl]-N-methyl-N-[(1R)-2-methyl-1-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)propyl]benzamide
SMILESCC(C)[C@H](c1nn(C)c(=O)o1)N(C)C(=O)c1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)C2)cc1
InChIInChI=1S/C28H35N3O4/c1-18(2)24(26-29-31(4)28(34)35-26)30(3)27(33)22-13-10-19(11-14-22)16-20-12-15-23(17-20)25(32)21-8-6-5-7-9-21/h5-11,13-14,18,20,23-25,32H,12,15-17H2,1-4H3/t20-,23-,24+,25+/m0/s1
InChIKeyIIZVWCRXTZDXAB-MNPDLOSFSA-N
XLogP4.53
TPSA88.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.61
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[(1R,3S)-3-[(S)-hydroxy(phenyl)methyl]cyclopentyl]methyl]-N-methyl-N-[(1R)-2-methyl-1-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)propyl]benzamide?
The IUPAC name of 4-[[(1R,3S)-3-[(S)-hydroxy(phenyl)methyl]cyclopentyl]methyl]-N-methyl-N-[(1R)-2-methyl-1-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)propyl]benzamide (CID 158713396) is 4-[[(1R,3S)-3-[(S)-hydroxy(phenyl)methyl]cyclopentyl]methyl]-N-methyl-N-[(1R)-2-methyl-1-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)propyl]benzamide.
What is the SMILES notation for 4-[[(1R,3S)-3-[(S)-hydroxy(phenyl)methyl]cyclopentyl]methyl]-N-methyl-N-[(1R)-2-methyl-1-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)propyl]benzamide?
The canonical SMILES for 4-[[(1R,3S)-3-[(S)-hydroxy(phenyl)methyl]cyclopentyl]methyl]-N-methyl-N-[(1R)-2-methyl-1-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)propyl]benzamide is CC(C)[C@H](c1nn(C)c(=O)o1)N(C)C(=O)c1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)C2)cc1.
What is the InChIKey of 4-[[(1R,3S)-3-[(S)-hydroxy(phenyl)methyl]cyclopentyl]methyl]-N-methyl-N-[(1R)-2-methyl-1-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)propyl]benzamide?
The InChIKey is IIZVWCRXTZDXAB-MNPDLOSFSA-N. The full InChI is InChI=1S/C28H35N3O4/c1-18(2)24(26-29-31(4)28(34)35-26)30(3)27(33)22-13-10-19(11-14-22)16-20-12-15-23(17-20)25(32)21-8-6-5-7-9-21/h5-11,13-14,18,20,23-25,32H,12,15-17H2,1-4H3/t20-,23-,24+,25+/m0/s1.
What are the key properties of 4-[[(1R,3S)-3-[(S)-hydroxy(phenyl)methyl]cyclopentyl]methyl]-N-methyl-N-[(1R)-2-methyl-1-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)propyl]benzamide?
4-[[(1R,3S)-3-[(S)-hydroxy(phenyl)methyl]cyclopentyl]methyl]-N-methyl-N-[(1R)-2-methyl-1-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)propyl]benzamide has a molecular weight of 477.61 g/mol, XLogP of 4.53, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1R,3S)-3-[(S)-hydroxy(phenyl)methyl]cyclopentyl]methyl]-N-methyl-N-[(1R)-2-methyl-1-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)propyl]benzamide is sourced from PubChem (CID 158713396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).