2-(3-methylphenoxy)-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide

C22H27NO4 — CID 17141875

IUPAC2-(3-methylphenoxy)-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide
SMILESCCC(Oc1cccc(C)c1)C(=O)Nc1cccc(OCC2CCCO2)c1
InChIInChI=1S/C22H27NO4/c1-3-21(27-19-10-4-7-16(2)13-19)22(24)23-17-8-5-9-18(14-17)26-15-20-11-6-12-25-20/h4-5,7-10,13-14,20-21H,3,6,11-12,15H2,1-2H3,(H,23,24)
InChIKeySHGNSZHKMFJJOK-UHFFFAOYSA-N
MW369.46 g/mol
LogP4.35
Rot. Bonds8

About 2-(3-methylphenoxy)-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide

2-(3-methylphenoxy)-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide (PubChem CID 17141875) has the molecular formula C22H27NO4 and a molecular weight of 369.46 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide.

Molecular Properties

Compound Name2-(3-methylphenoxy)-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide
PubChem CID17141875
Molecular FormulaC22H27NO4
Molecular Weight369.46 g/mol
Exact Mass369.19
IUPAC Name2-(3-methylphenoxy)-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide
SMILESCCC(Oc1cccc(C)c1)C(=O)Nc1cccc(OCC2CCCO2)c1
InChIInChI=1S/C22H27NO4/c1-3-21(27-19-10-4-7-16(2)13-19)22(24)23-17-8-5-9-18(14-17)26-15-20-11-6-12-25-20/h4-5,7-10,13-14,20-21H,3,6,11-12,15H2,1-2H3,(H,23,24)
InChIKeySHGNSZHKMFJJOK-UHFFFAOYSA-N
XLogP4.35
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(ethylamino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54820938
2-(methylamino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide;hydrochloride
CID 119713691
1-cyclopropyl-3-[3-(oxolan-2-ylmethoxy)phenyl]urea
CID 47162446
2-(2,4-dimethylphenoxy)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 17141795
2-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 119284095
3-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide
CID 119713717
3-acetamido-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 46802911
2-(3-methylphenoxy)-N-[3-(2-methylpropanoylamino)phenyl]butanamide
CID 17189216
4-(2,5-dimethylphenyl)-4-oxo-N-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]butanamide
CID 38477135
3-methyl-N-[4-[[2-oxo-2-[3-(oxolan-2-ylmethoxy)anilino]ethyl]amino]phenyl]butanamide
CID 54831706
4-(2,5-dimethylphenyl)-4-oxo-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]butanamide
CID 38477132
2-amino-4-methylsulfanyl-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide;hydrochloride
CID 119284120

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide?
The IUPAC name of 2-(3-methylphenoxy)-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide (CID 17141875) is 2-(3-methylphenoxy)-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide.
What is the SMILES notation for 2-(3-methylphenoxy)-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide?
The canonical SMILES for 2-(3-methylphenoxy)-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide is CCC(Oc1cccc(C)c1)C(=O)Nc1cccc(OCC2CCCO2)c1.
What is the InChIKey of 2-(3-methylphenoxy)-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide?
The InChIKey is SHGNSZHKMFJJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO4/c1-3-21(27-19-10-4-7-16(2)13-19)22(24)23-17-8-5-9-18(14-17)26-15-20-11-6-12-25-20/h4-5,7-10,13-14,20-21H,3,6,11-12,15H2,1-2H3,(H,23,24).
What are the key properties of 2-(3-methylphenoxy)-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide?
2-(3-methylphenoxy)-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide has a molecular weight of 369.46 g/mol, XLogP of 4.35, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide is sourced from PubChem (CID 17141875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).