N-[3-[(1S)-1-hydroxyethyl]phenyl]-2-propylpentanamide

C16H25NO2 — CID 40793142

IUPACN-[3-[(1S)-1-hydroxyethyl]phenyl]-2-propylpentanamide
SMILESCCCC(CCC)C(=O)Nc1cccc([C@H](C)O)c1
InChIInChI=1S/C16H25NO2/c1-4-7-13(8-5-2)16(19)17-15-10-6-9-14(11-15)12(3)18/h6,9-13,18H,4-5,7-8H2,1-3H3,(H,17,19)/t12-/m0/s1
InChIKeyRFJRHQLJDWZEKM-LBPRGKRZSA-N
MW263.38 g/mol
LogP3.89
Rot. Bonds7

About N-[3-[(1S)-1-hydroxyethyl]phenyl]-2-propylpentanamide

N-[3-[(1S)-1-hydroxyethyl]phenyl]-2-propylpentanamide (PubChem CID 40793142) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[3-[(1S)-1-hydroxyethyl]phenyl]-2-propylpentanamide.

Molecular Properties

Compound NameN-[3-[(1S)-1-hydroxyethyl]phenyl]-2-propylpentanamide
PubChem CID40793142
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-[3-[(1S)-1-hydroxyethyl]phenyl]-2-propylpentanamide
SMILESCCCC(CCC)C(=O)Nc1cccc([C@H](C)O)c1
InChIInChI=1S/C16H25NO2/c1-4-7-13(8-5-2)16(19)17-15-10-6-9-14(11-15)12(3)18/h6,9-13,18H,4-5,7-8H2,1-3H3,(H,17,19)/t12-/m0/s1
InChIKeyRFJRHQLJDWZEKM-LBPRGKRZSA-N
XLogP3.89
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(1S)-1-hydroxyethyl]phenyl]-2-propylpentanamide?
The IUPAC name of N-[3-[(1S)-1-hydroxyethyl]phenyl]-2-propylpentanamide (CID 40793142) is N-[3-[(1S)-1-hydroxyethyl]phenyl]-2-propylpentanamide.
What is the SMILES notation for N-[3-[(1S)-1-hydroxyethyl]phenyl]-2-propylpentanamide?
The canonical SMILES for N-[3-[(1S)-1-hydroxyethyl]phenyl]-2-propylpentanamide is CCCC(CCC)C(=O)Nc1cccc([C@H](C)O)c1.
What is the InChIKey of N-[3-[(1S)-1-hydroxyethyl]phenyl]-2-propylpentanamide?
The InChIKey is RFJRHQLJDWZEKM-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H25NO2/c1-4-7-13(8-5-2)16(19)17-15-10-6-9-14(11-15)12(3)18/h6,9-13,18H,4-5,7-8H2,1-3H3,(H,17,19)/t12-/m0/s1.
What are the key properties of N-[3-[(1S)-1-hydroxyethyl]phenyl]-2-propylpentanamide?
N-[3-[(1S)-1-hydroxyethyl]phenyl]-2-propylpentanamide has a molecular weight of 263.38 g/mol, XLogP of 3.89, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1S)-1-hydroxyethyl]phenyl]-2-propylpentanamide is sourced from PubChem (CID 40793142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).