4-(1-hydroxypropyl)benzamide

C10H13NO2 — CID 118219631

IUPAC4-(1-hydroxypropyl)benzamide
SMILESCCC(O)c1ccc(C(N)=O)cc1
InChIInChI=1S/C10H13NO2/c1-2-9(12)7-3-5-8(6-4-7)10(11)13/h3-6,9,12H,2H2,1H3,(H2,11,13)
InChIKeyREIQEJZWZDKXQM-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.23
Rot. Bonds3

About 4-(1-hydroxypropyl)benzamide

4-(1-hydroxypropyl)benzamide (PubChem CID 118219631) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 4-(1-hydroxypropyl)benzamide.

Molecular Properties

Compound Name4-(1-hydroxypropyl)benzamide
PubChem CID118219631
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name4-(1-hydroxypropyl)benzamide
SMILESCCC(O)c1ccc(C(N)=O)cc1
InChIInChI=1S/C10H13NO2/c1-2-9(12)7-3-5-8(6-4-7)10(11)13/h3-6,9,12H,2H2,1H3,(H2,11,13)
InChIKeyREIQEJZWZDKXQM-UHFFFAOYSA-N
XLogP1.23
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1-hydroxy-3-methylbutyl)benzamide
CID 118216553
4-(3-methylpentan-2-yl)benzamide
CID 126657369
4-(1-hydroxyethyl)benzamide
CID 22716490
tert-butyl 4-(1-hydroxypropyl)benzoate
CID 21473763
4-[bromo(hydroxy)methyl]benzamide
CID 142783477
4-[(1S,2S)-1-amino-2-hydroxypropyl]benzamide
CID 130706174
4-[(1R,2S)-1-amino-2-hydroxypropyl]benzamide
CID 131145263
1-[4-[1-[4-(1-hydroxypropyl)phenyl]propyl]phenyl]propan-1-ol
CID 174900127
1-[4-(aminomethyl)phenyl]propan-1-ol
CID 22716491
3-[4-[(1S)-1-hydroxypropyl]phenoxy]propanamide
CID 78932628
4-[2-[(1R)-1-hydroxypropyl]phenoxy]benzamide
CID 103960520
(1R)-1-(4-methylphenyl)propan-1-ol;propane
CID 144859103

Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxypropyl)benzamide?
The IUPAC name of 4-(1-hydroxypropyl)benzamide (CID 118219631) is 4-(1-hydroxypropyl)benzamide.
What is the SMILES notation for 4-(1-hydroxypropyl)benzamide?
The canonical SMILES for 4-(1-hydroxypropyl)benzamide is CCC(O)c1ccc(C(N)=O)cc1.
What is the InChIKey of 4-(1-hydroxypropyl)benzamide?
The InChIKey is REIQEJZWZDKXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-2-9(12)7-3-5-8(6-4-7)10(11)13/h3-6,9,12H,2H2,1H3,(H2,11,13).
What are the key properties of 4-(1-hydroxypropyl)benzamide?
4-(1-hydroxypropyl)benzamide has a molecular weight of 179.22 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxypropyl)benzamide is sourced from PubChem (CID 118219631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).