N-[(3S)-5-hydroxy-3-phenylpentyl]-2-methylbenzamide

C19H23NO2 — CID 99872811

IUPACN-[(3S)-5-hydroxy-3-phenylpentyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCC[C@@H](CCO)c1ccccc1
InChIInChI=1S/C19H23NO2/c1-15-7-5-6-10-18(15)19(22)20-13-11-17(12-14-21)16-8-3-2-4-9-16/h2-10,17,21H,11-14H2,1H3,(H,20,22)/t17-/m0/s1
InChIKeyVZQBNLJHFQDRBY-KRWDZBQOSA-N
MW297.40 g/mol
LogP3.28
Rot. Bonds7

About N-[(3S)-5-hydroxy-3-phenylpentyl]-2-methylbenzamide

N-[(3S)-5-hydroxy-3-phenylpentyl]-2-methylbenzamide (PubChem CID 99872811) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is N-[(3S)-5-hydroxy-3-phenylpentyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[(3S)-5-hydroxy-3-phenylpentyl]-2-methylbenzamide
PubChem CID99872811
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC NameN-[(3S)-5-hydroxy-3-phenylpentyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCC[C@@H](CCO)c1ccccc1
InChIInChI=1S/C19H23NO2/c1-15-7-5-6-10-18(15)19(22)20-13-11-17(12-14-21)16-8-3-2-4-9-16/h2-10,17,21H,11-14H2,1H3,(H,20,22)/t17-/m0/s1
InChIKeyVZQBNLJHFQDRBY-KRWDZBQOSA-N
XLogP3.28
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-5-hydroxy-3-phenylpentyl]-2-methylbenzamide?
The IUPAC name of N-[(3S)-5-hydroxy-3-phenylpentyl]-2-methylbenzamide (CID 99872811) is N-[(3S)-5-hydroxy-3-phenylpentyl]-2-methylbenzamide.
What is the SMILES notation for N-[(3S)-5-hydroxy-3-phenylpentyl]-2-methylbenzamide?
The canonical SMILES for N-[(3S)-5-hydroxy-3-phenylpentyl]-2-methylbenzamide is Cc1ccccc1C(=O)NCC[C@@H](CCO)c1ccccc1.
What is the InChIKey of N-[(3S)-5-hydroxy-3-phenylpentyl]-2-methylbenzamide?
The InChIKey is VZQBNLJHFQDRBY-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H23NO2/c1-15-7-5-6-10-18(15)19(22)20-13-11-17(12-14-21)16-8-3-2-4-9-16/h2-10,17,21H,11-14H2,1H3,(H,20,22)/t17-/m0/s1.
What are the key properties of N-[(3S)-5-hydroxy-3-phenylpentyl]-2-methylbenzamide?
N-[(3S)-5-hydroxy-3-phenylpentyl]-2-methylbenzamide has a molecular weight of 297.40 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-5-hydroxy-3-phenylpentyl]-2-methylbenzamide is sourced from PubChem (CID 99872811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).