3-(5-hydroxypentoxy)-N-[(2S)-2-hydroxypropyl]benzamide

C15H23NO4 — CID 97221199

IUPAC3-(5-hydroxypentoxy)-N-[(2S)-2-hydroxypropyl]benzamide
SMILESC[C@H](O)CNC(=O)c1cccc(OCCCCCO)c1
InChIInChI=1S/C15H23NO4/c1-12(18)11-16-15(19)13-6-5-7-14(10-13)20-9-4-2-3-8-17/h5-7,10,12,17-18H,2-4,8-9,11H2,1H3,(H,16,19)/t12-/m0/s1
InChIKeyKKLULARKGOVBAQ-LBPRGKRZSA-N
MW281.35 g/mol
LogP1.34
Rot. Bonds9

About 3-(5-hydroxypentoxy)-N-[(2S)-2-hydroxypropyl]benzamide

3-(5-hydroxypentoxy)-N-[(2S)-2-hydroxypropyl]benzamide (PubChem CID 97221199) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 3-(5-hydroxypentoxy)-N-[(2S)-2-hydroxypropyl]benzamide.

Molecular Properties

Compound Name3-(5-hydroxypentoxy)-N-[(2S)-2-hydroxypropyl]benzamide
PubChem CID97221199
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name3-(5-hydroxypentoxy)-N-[(2S)-2-hydroxypropyl]benzamide
SMILESC[C@H](O)CNC(=O)c1cccc(OCCCCCO)c1
InChIInChI=1S/C15H23NO4/c1-12(18)11-16-15(19)13-6-5-7-14(10-13)20-9-4-2-3-8-17/h5-7,10,12,17-18H,2-4,8-9,11H2,1H3,(H,16,19)/t12-/m0/s1
InChIKeyKKLULARKGOVBAQ-LBPRGKRZSA-N
XLogP1.34
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-2-hydroxypropyl]-3-(2-methylpropoxy)benzamide
CID 83030958
N-[(2S)-2-hydroxypropyl]-3-[3-[(2S)-oxan-2-yl]oxypropoxy]benzamide
CID 100761485
N-(4-hydroxybutyl)-3-(2-methylpropoxy)benzamide
CID 106842963
N-(2-hydroxypropyl)-3-[(2-methylphenyl)methoxy]benzamide
CID 111432837
N-(2-hydroxypropylcarbamothioyl)-3-(3-methylbutoxy)benzamide
CID 17161969
4-heptoxy-N-[(2S)-2-hydroxypropyl]benzamide
CID 98156453
4-heptoxy-N-(2-hydroxypropyl)benzamide
CID 3390549
3-(3-methylbutoxy)-N-[2-[[3-(3-methylbutoxy)benzoyl]amino]propyl]benzamide
CID 4982231
N-(3-hydroxy-2-methylpropyl)-3-(2-methylpropoxy)benzamide
CID 65037333
N-(3-amino-2-methylpropyl)-3-propoxybenzamide;hydrochloride
CID 119997780
3-(4-cyanophenoxy)-N-(2-hydroxypropyl)benzamide
CID 111469744
2-hydroxy-3-[[3-(2-methylpropoxy)benzoyl]amino]propanoic acid
CID 66168078

Frequently Asked Questions

What is the IUPAC name of 3-(5-hydroxypentoxy)-N-[(2S)-2-hydroxypropyl]benzamide?
The IUPAC name of 3-(5-hydroxypentoxy)-N-[(2S)-2-hydroxypropyl]benzamide (CID 97221199) is 3-(5-hydroxypentoxy)-N-[(2S)-2-hydroxypropyl]benzamide.
What is the SMILES notation for 3-(5-hydroxypentoxy)-N-[(2S)-2-hydroxypropyl]benzamide?
The canonical SMILES for 3-(5-hydroxypentoxy)-N-[(2S)-2-hydroxypropyl]benzamide is C[C@H](O)CNC(=O)c1cccc(OCCCCCO)c1.
What is the InChIKey of 3-(5-hydroxypentoxy)-N-[(2S)-2-hydroxypropyl]benzamide?
The InChIKey is KKLULARKGOVBAQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H23NO4/c1-12(18)11-16-15(19)13-6-5-7-14(10-13)20-9-4-2-3-8-17/h5-7,10,12,17-18H,2-4,8-9,11H2,1H3,(H,16,19)/t12-/m0/s1.
What are the key properties of 3-(5-hydroxypentoxy)-N-[(2S)-2-hydroxypropyl]benzamide?
3-(5-hydroxypentoxy)-N-[(2S)-2-hydroxypropyl]benzamide has a molecular weight of 281.35 g/mol, XLogP of 1.34, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-hydroxypentoxy)-N-[(2S)-2-hydroxypropyl]benzamide is sourced from PubChem (CID 97221199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).