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

C20H26N2O3 — CID 110907951

IUPACN-[4-[2-hydroxy-3-(N-propan-2-ylanilino)propoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCC(O)CN(c2ccccc2)C(C)C)cc1
InChIInChI=1S/C20H26N2O3/c1-15(2)22(18-7-5-4-6-8-18)13-19(24)14-25-20-11-9-17(10-12-20)21-16(3)23/h4-12,15,19,24H,13-14H2,1-3H3,(H,21,23)
InChIKeyPZSHJVUJCFHCAK-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.30
Rot. Bonds8

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

N-[4-[2-hydroxy-3-(N-propan-2-ylanilino)propoxy]phenyl]acetamide (PubChem CID 110907951) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[4-[2-hydroxy-3-(N-propan-2-ylanilino)propoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-hydroxy-3-(N-propan-2-ylanilino)propoxy]phenyl]acetamide
PubChem CID110907951
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC NameN-[4-[2-hydroxy-3-(N-propan-2-ylanilino)propoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCC(O)CN(c2ccccc2)C(C)C)cc1
InChIInChI=1S/C20H26N2O3/c1-15(2)22(18-7-5-4-6-8-18)13-19(24)14-25-20-11-9-17(10-12-20)21-16(3)23/h4-12,15,19,24H,13-14H2,1-3H3,(H,21,23)
InChIKeyPZSHJVUJCFHCAK-UHFFFAOYSA-N
XLogP3.30
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-hydroxy-3-[propan-2-yl(prop-2-ynyl)amino]propoxy]phenyl]acetamide
CID 111108348
N-[4-[(2S)-2-hydroxy-3-[[(1S)-1-phenylethyl]amino]propoxy]phenyl]acetamide
CID 40616157
2-(4-acetamidophenoxy)-N-phenyl-N-propan-2-ylacetamide
CID 7203462
ethyl 2-[[3-(4-acetamidophenoxy)-2-hydroxypropyl]-propan-2-ylamino]acetate
CID 47526880
N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide
CID 4883
N-[4-[3-[1-cyclopropylethyl(methyl)amino]-2-hydroxypropoxy]phenyl]acetamide
CID 46445236
N-[4-[3-(4-ethylphenoxy)-2-hydroxypropoxy]phenyl]acetamide
CID 42958085
(2S)-1-[4-[(2R)-2-hydroxy-3-(N-methylanilino)propoxy]phenoxy]-3-(N-methylanilino)propan-2-ol
CID 1232760
1-benzyl-3-[4-[(2S)-3-(dimethylamino)-2-hydroxypropoxy]phenyl]urea
CID 94813696
N-[4-[(2S)-3-(4-benzylpiperazine-1,4-diium-1-yl)-2-hydroxypropoxy]phenyl]acetamide
CID 6966060
1-[4-[(2R)-3-(dimethylamino)-2-hydroxypropoxy]phenyl]-3-pyridin-2-ylurea
CID 94818055
N-[4-[2-hydroxy-3-(2-phenylpyrrolidin-1-yl)propoxy]phenyl]acetamide
CID 55680120

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-hydroxy-3-(N-propan-2-ylanilino)propoxy]phenyl]acetamide?
The IUPAC name of N-[4-[2-hydroxy-3-(N-propan-2-ylanilino)propoxy]phenyl]acetamide (CID 110907951) is N-[4-[2-hydroxy-3-(N-propan-2-ylanilino)propoxy]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-hydroxy-3-(N-propan-2-ylanilino)propoxy]phenyl]acetamide?
The canonical SMILES for N-[4-[2-hydroxy-3-(N-propan-2-ylanilino)propoxy]phenyl]acetamide is CC(=O)Nc1ccc(OCC(O)CN(c2ccccc2)C(C)C)cc1.
What is the InChIKey of N-[4-[2-hydroxy-3-(N-propan-2-ylanilino)propoxy]phenyl]acetamide?
The InChIKey is PZSHJVUJCFHCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-15(2)22(18-7-5-4-6-8-18)13-19(24)14-25-20-11-9-17(10-12-20)21-16(3)23/h4-12,15,19,24H,13-14H2,1-3H3,(H,21,23).
What are the key properties of N-[4-[2-hydroxy-3-(N-propan-2-ylanilino)propoxy]phenyl]acetamide?
N-[4-[2-hydroxy-3-(N-propan-2-ylanilino)propoxy]phenyl]acetamide has a molecular weight of 342.44 g/mol, XLogP of 3.30, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-hydroxy-3-(N-propan-2-ylanilino)propoxy]phenyl]acetamide is sourced from PubChem (CID 110907951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).