N-[4-(4-hydroxyphenyl)butan-2-yl]acetamide;N-[4-[4-[[5-(oxolan-3-yloxy)-2-pyridinyl]oxy]phenyl]butan-2-yl]acetamide

C33H43N3O6 — CID 67071747

IUPACN-[4-(4-hydroxyphenyl)butan-2-yl]acetamide;N-[4-[4-[[5-(oxolan-3-yloxy)-2-pyridinyl]oxy]phenyl]butan-2-yl]acetamide
SMILESCC(=O)NC(C)CCc1ccc(O)cc1.CC(=O)NC(C)CCc1ccc(Oc2ccc(OC3CCOC3)cn2)cc1
InChIInChI=1S/C21H26N2O4.C12H17NO2/c1-15(23-16(2)24)3-4-17-5-7-18(8-6-17)27-21-10-9-19(13-22-21)26-20-11-12-25-14-20;1-9(13-10(2)14)3-4-11-5-7-12(15)8-6-11/h5-10,13,15,20H,3-4,11-12,14H2,1-2H3,(H,23,24);5-9,15H,3-4H2,1-2H3,(H,13,14)
InChIKeyHXKAUCRDIWAAMQ-UHFFFAOYSA-N
MW577.72 g/mol
LogP5.35
Rot. Bonds12

About N-[4-(4-hydroxyphenyl)butan-2-yl]acetamide;N-[4-[4-[[5-(oxolan-3-yloxy)-2-pyridinyl]oxy]phenyl]butan-2-yl]acetamide

N-[4-(4-hydroxyphenyl)butan-2-yl]acetamide;N-[4-[4-[[5-(oxolan-3-yloxy)-2-pyridinyl]oxy]phenyl]butan-2-yl]acetamide (PubChem CID 67071747) has the molecular formula C33H43N3O6 and a molecular weight of 577.72 g/mol. Its IUPAC name is N-[4-(4-hydroxyphenyl)butan-2-yl]acetamide;N-[4-[4-[[5-(oxolan-3-yloxy)-2-pyridinyl]oxy]phenyl]butan-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-(4-hydroxyphenyl)butan-2-yl]acetamide;N-[4-[4-[[5-(oxolan-3-yloxy)-2-pyridinyl]oxy]phenyl]butan-2-yl]acetamide
PubChem CID67071747
Molecular FormulaC33H43N3O6
Molecular Weight577.72 g/mol
Exact Mass577.32
IUPAC NameN-[4-(4-hydroxyphenyl)butan-2-yl]acetamide;N-[4-[4-[[5-(oxolan-3-yloxy)-2-pyridinyl]oxy]phenyl]butan-2-yl]acetamide
SMILESCC(=O)NC(C)CCc1ccc(O)cc1.CC(=O)NC(C)CCc1ccc(Oc2ccc(OC3CCOC3)cn2)cc1
InChIInChI=1S/C21H26N2O4.C12H17NO2/c1-15(23-16(2)24)3-4-17-5-7-18(8-6-17)27-21-10-9-19(13-22-21)26-20-11-12-25-14-20;1-9(13-10(2)14)3-4-11-5-7-12(15)8-6-11/h5-10,13,15,20H,3-4,11-12,14H2,1-2H3,(H,23,24);5-9,15H,3-4H2,1-2H3,(H,13,14)
InChIKeyHXKAUCRDIWAAMQ-UHFFFAOYSA-N
XLogP5.35
TPSA119.01 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.72
LogP ≤ 55.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-(4-hydroxyphenyl)butan-2-yl]-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]urea
CID 86947726
N-[4-[4-[(6-fluoro-3-pyridinyl)oxy]phenyl]butan-2-yl]acetamide
CID 67302905
1-[5-(oxolan-3-yloxy)-2-pyridinyl]ethanone
CID 83119185
N-[[6-(oxolan-3-yloxy)-3-pyridinyl]methyl]propan-2-amine
CID 63556915
N-[4-[4-[(6-propan-2-yloxy-3-pyridinyl)methyl]phenyl]butan-2-yl]acetamide
CID 144549853
(2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(oxolan-3-yloxy)-2-pyridinyl]-2-phenylacetamide
CID 165021666
(1S)-1-[5-(oxolan-3-yloxy)-2-pyridinyl]ethanamine
CID 83123778
1-[5-(oxolan-3-yloxy)-2-pyridinyl]propan-2-amine
CID 79800705
N-[[4-(oxolan-3-yloxy)phenyl]methyl]ethanamine
CID 63557924
N-[1-[4-[2-[4-(oxetan-3-yloxy)phenyl]ethynyl]phenyl]propan-2-yl]acetamide
CID 56925028
6-(4-bromophenoxy)-N-[(1R)-1-[(3S)-oxolan-3-yl]ethyl]pyridine-3-carboxamide
CID 100623073
N-[(2S)-1-[4-[[2-[(3R)-oxolan-3-yl]oxy-[1,3]thiazolo[4,5-c]pyridin-6-yl]oxy]cyclohexyl]oxypropan-2-yl]acetamide
CID 122497682

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-hydroxyphenyl)butan-2-yl]acetamide;N-[4-[4-[[5-(oxolan-3-yloxy)-2-pyridinyl]oxy]phenyl]butan-2-yl]acetamide?
The IUPAC name of N-[4-(4-hydroxyphenyl)butan-2-yl]acetamide;N-[4-[4-[[5-(oxolan-3-yloxy)-2-pyridinyl]oxy]phenyl]butan-2-yl]acetamide (CID 67071747) is N-[4-(4-hydroxyphenyl)butan-2-yl]acetamide;N-[4-[4-[[5-(oxolan-3-yloxy)-2-pyridinyl]oxy]phenyl]butan-2-yl]acetamide.
What is the SMILES notation for N-[4-(4-hydroxyphenyl)butan-2-yl]acetamide;N-[4-[4-[[5-(oxolan-3-yloxy)-2-pyridinyl]oxy]phenyl]butan-2-yl]acetamide?
The canonical SMILES for N-[4-(4-hydroxyphenyl)butan-2-yl]acetamide;N-[4-[4-[[5-(oxolan-3-yloxy)-2-pyridinyl]oxy]phenyl]butan-2-yl]acetamide is CC(=O)NC(C)CCc1ccc(O)cc1.CC(=O)NC(C)CCc1ccc(Oc2ccc(OC3CCOC3)cn2)cc1.
What is the InChIKey of N-[4-(4-hydroxyphenyl)butan-2-yl]acetamide;N-[4-[4-[[5-(oxolan-3-yloxy)-2-pyridinyl]oxy]phenyl]butan-2-yl]acetamide?
The InChIKey is HXKAUCRDIWAAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4.C12H17NO2/c1-15(23-16(2)24)3-4-17-5-7-18(8-6-17)27-21-10-9-19(13-22-21)26-20-11-12-25-14-20;1-9(13-10(2)14)3-4-11-5-7-12(15)8-6-11/h5-10,13,15,20H,3-4,11-12,14H2,1-2H3,(H,23,24);5-9,15H,3-4H2,1-2H3,(H,13,14).
What are the key properties of N-[4-(4-hydroxyphenyl)butan-2-yl]acetamide;N-[4-[4-[[5-(oxolan-3-yloxy)-2-pyridinyl]oxy]phenyl]butan-2-yl]acetamide?
N-[4-(4-hydroxyphenyl)butan-2-yl]acetamide;N-[4-[4-[[5-(oxolan-3-yloxy)-2-pyridinyl]oxy]phenyl]butan-2-yl]acetamide has a molecular weight of 577.72 g/mol, XLogP of 5.35, 12 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-hydroxyphenyl)butan-2-yl]acetamide;N-[4-[4-[[5-(oxolan-3-yloxy)-2-pyridinyl]oxy]phenyl]butan-2-yl]acetamide is sourced from PubChem (CID 67071747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).