3-hydroxy-N-[4-(1-hydroxyethyl)phenyl]butanamide

C12H17NO3 — CID 110178597

IUPAC3-hydroxy-N-[4-(1-hydroxyethyl)phenyl]butanamide
SMILESCC(O)CC(=O)Nc1ccc(C(C)O)cc1
InChIInChI=1S/C12H17NO3/c1-8(14)7-12(16)13-11-5-3-10(4-6-11)9(2)15/h3-6,8-9,14-15H,7H2,1-2H3,(H,13,16)
InChIKeyQLEOMRPVSRTOST-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.45
Rot. Bonds4

About 3-hydroxy-N-[4-(1-hydroxyethyl)phenyl]butanamide

3-hydroxy-N-[4-(1-hydroxyethyl)phenyl]butanamide (PubChem CID 110178597) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 3-hydroxy-N-[4-(1-hydroxyethyl)phenyl]butanamide.

Molecular Properties

Compound Name3-hydroxy-N-[4-(1-hydroxyethyl)phenyl]butanamide
PubChem CID110178597
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name3-hydroxy-N-[4-(1-hydroxyethyl)phenyl]butanamide
SMILESCC(O)CC(=O)Nc1ccc(C(C)O)cc1
InChIInChI=1S/C12H17NO3/c1-8(14)7-12(16)13-11-5-3-10(4-6-11)9(2)15/h3-6,8-9,14-15H,7H2,1-2H3,(H,13,16)
InChIKeyQLEOMRPVSRTOST-UHFFFAOYSA-N
XLogP1.45
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(1R)-1-hydroxyethyl]phenyl]-2-phenylacetamide
CID 93090514
2-(4-bromophenyl)-N-[4-(1-hydroxyethyl)phenyl]acetamide
CID 91676875
2-(4-aminophenyl)-N-[4-[(1R)-1-hydroxyethyl]phenyl]acetamide
CID 100803515
N-[4-[(2,2-diphenylacetyl)amino]phenyl]-3-hydroxybutanamide
CID 110179103
N-(4-ethoxyphenyl)-3-hydroxybutanamide
CID 14130
N,3-bis(4-methylphenyl)butanamide
CID 2750905
(3R)-N,3-bis(4-methylphenyl)butanamide
CID 7054484
1-[4-(1-hydroxyethyl)phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 61347612
3-hydroxy-N-(3-methylphenyl)butanamide
CID 16769880
2-iodo-N-(4-propan-2-ylphenyl)acetamide
CID 60723215
N-(4-hydroxyphenyl)-3-methylbutanamide
CID 836029
3-methyl-N-[4-(methylamino)phenyl]butanamide
CID 63090374

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[4-(1-hydroxyethyl)phenyl]butanamide?
The IUPAC name of 3-hydroxy-N-[4-(1-hydroxyethyl)phenyl]butanamide (CID 110178597) is 3-hydroxy-N-[4-(1-hydroxyethyl)phenyl]butanamide.
What is the SMILES notation for 3-hydroxy-N-[4-(1-hydroxyethyl)phenyl]butanamide?
The canonical SMILES for 3-hydroxy-N-[4-(1-hydroxyethyl)phenyl]butanamide is CC(O)CC(=O)Nc1ccc(C(C)O)cc1.
What is the InChIKey of 3-hydroxy-N-[4-(1-hydroxyethyl)phenyl]butanamide?
The InChIKey is QLEOMRPVSRTOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-8(14)7-12(16)13-11-5-3-10(4-6-11)9(2)15/h3-6,8-9,14-15H,7H2,1-2H3,(H,13,16).
What are the key properties of 3-hydroxy-N-[4-(1-hydroxyethyl)phenyl]butanamide?
3-hydroxy-N-[4-(1-hydroxyethyl)phenyl]butanamide has a molecular weight of 223.27 g/mol, XLogP of 1.45, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[4-(1-hydroxyethyl)phenyl]butanamide is sourced from PubChem (CID 110178597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).