N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide

C14H22N2O3 — CID 4883

IUPACN-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCC(O)CNC(C)C)cc1
InChIInChI=1S/C14H22N2O3/c1-10(2)15-8-13(18)9-19-14-6-4-12(5-7-14)16-11(3)17/h4-7,10,13,15,18H,8-9H2,1-3H3,(H,16,17)
InChIKeyDURULFYMVIFBIR-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.38
Rot. Bonds7

About N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide

N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide (PubChem CID 4883) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide
PubChem CID4883
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC NameN-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCC(O)CNC(C)C)cc1
InChIInChI=1S/C14H22N2O3/c1-10(2)15-8-13(18)9-19-14-6-4-12(5-7-14)16-11(3)17/h4-7,10,13,15,18H,8-9H2,1-3H3,(H,16,17)
InChIKeyDURULFYMVIFBIR-UHFFFAOYSA-N
XLogP1.38
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]butanamide
CID 14472928
N-[4-[(2S)-2-hydroxy-3-[[(1S)-1-phenylethyl]amino]propoxy]phenyl]acetamide
CID 40616157
1-[4-[(2R)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-3-propylurea
CID 129396080
(E)-N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-4-(123I)iodobut-3-enamide
CID 11015178
4-[(2R)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenol
CID 6328341
1-(4-methylphenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 16812220
1-[4-[[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]methyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 44537247
1-[4-(1-hydroxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 155667891
(2R)-1-(4-aminophenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 91927663
N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-4-phenylmethoxybenzamide
CID 13388920
4-hexoxy-N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]benzamide
CID 13388918
(2R)-1-phenoxy-3-(propan-2-ylamino)propan-2-ol
CID 843464

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide?
The IUPAC name of N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide (CID 4883) is N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide?
The canonical SMILES for N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide is CC(=O)Nc1ccc(OCC(O)CNC(C)C)cc1.
What is the InChIKey of N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide?
The InChIKey is DURULFYMVIFBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-10(2)15-8-13(18)9-19-14-6-4-12(5-7-14)16-11(3)17/h4-7,10,13,15,18H,8-9H2,1-3H3,(H,16,17).
What are the key properties of N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide?
N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide has a molecular weight of 266.34 g/mol, XLogP of 1.38, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide is sourced from PubChem (CID 4883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).