4-(2,5-dimethylphenyl)-4-oxo-N-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]butanamide

C23H27NO4 — CID 38477135

IUPAC4-(2,5-dimethylphenyl)-4-oxo-N-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]butanamide
SMILESCc1ccc(C)c(C(=O)CCC(=O)Nc2cccc(OC[C@H]3CCCO3)c2)c1
InChIInChI=1S/C23H27NO4/c1-16-8-9-17(2)21(13-16)22(25)10-11-23(26)24-18-5-3-6-19(14-18)28-15-20-7-4-12-27-20/h3,5-6,8-9,13-14,20H,4,7,10-12,15H2,1-2H3,(H,24,26)/t20-/m1/s1
InChIKeyCNTNZPOJOAMVMC-HXUWFJFHSA-N
MW381.47 g/mol
LogP4.46
Rot. Bonds8

About 4-(2,5-dimethylphenyl)-4-oxo-N-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]butanamide

4-(2,5-dimethylphenyl)-4-oxo-N-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]butanamide (PubChem CID 38477135) has the molecular formula C23H27NO4 and a molecular weight of 381.47 g/mol. Its IUPAC name is 4-(2,5-dimethylphenyl)-4-oxo-N-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]butanamide.

Molecular Properties

Compound Name4-(2,5-dimethylphenyl)-4-oxo-N-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]butanamide
PubChem CID38477135
Molecular FormulaC23H27NO4
Molecular Weight381.47 g/mol
Exact Mass381.19
IUPAC Name4-(2,5-dimethylphenyl)-4-oxo-N-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]butanamide
SMILESCc1ccc(C)c(C(=O)CCC(=O)Nc2cccc(OC[C@H]3CCCO3)c2)c1
InChIInChI=1S/C23H27NO4/c1-16-8-9-17(2)21(13-16)22(25)10-11-23(26)24-18-5-3-6-19(14-18)28-15-20-7-4-12-27-20/h3,5-6,8-9,13-14,20H,4,7,10-12,15H2,1-2H3,(H,24,26)/t20-/m1/s1
InChIKeyCNTNZPOJOAMVMC-HXUWFJFHSA-N
XLogP4.46
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.47
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,5-dimethylphenyl)-4-oxo-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]butanamide
CID 38477132
2-(2,4-dimethylphenoxy)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 17141795
4-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide
CID 119284123
2-(methylamino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide;hydrochloride
CID 119713691
2-(ethylamino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54820938
2-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 119284095
2-(dipropylamino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54818764
3-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide
CID 119713717
4-(2,5-dimethylphenyl)-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]butanamide
CID 94102322
N-[3-(oxolan-2-ylmethoxy)phenyl]-2-(4-propanoylphenoxy)acetamide
CID 46449164
methyl 4-oxo-4-[[3-(oxolan-2-ylmethoxy)phenyl]carbamothioylamino]butanoate
CID 17142000
3-(4-fluorophenyl)sulfanyl-N-[3-(oxolan-2-ylmethoxy)phenyl]propanamide
CID 46802916

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylphenyl)-4-oxo-N-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]butanamide?
The IUPAC name of 4-(2,5-dimethylphenyl)-4-oxo-N-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]butanamide (CID 38477135) is 4-(2,5-dimethylphenyl)-4-oxo-N-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]butanamide.
What is the SMILES notation for 4-(2,5-dimethylphenyl)-4-oxo-N-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]butanamide?
The canonical SMILES for 4-(2,5-dimethylphenyl)-4-oxo-N-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]butanamide is Cc1ccc(C)c(C(=O)CCC(=O)Nc2cccc(OC[C@H]3CCCO3)c2)c1.
What is the InChIKey of 4-(2,5-dimethylphenyl)-4-oxo-N-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]butanamide?
The InChIKey is CNTNZPOJOAMVMC-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H27NO4/c1-16-8-9-17(2)21(13-16)22(25)10-11-23(26)24-18-5-3-6-19(14-18)28-15-20-7-4-12-27-20/h3,5-6,8-9,13-14,20H,4,7,10-12,15H2,1-2H3,(H,24,26)/t20-/m1/s1.
What are the key properties of 4-(2,5-dimethylphenyl)-4-oxo-N-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]butanamide?
4-(2,5-dimethylphenyl)-4-oxo-N-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]butanamide has a molecular weight of 381.47 g/mol, XLogP of 4.46, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylphenyl)-4-oxo-N-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]butanamide is sourced from PubChem (CID 38477135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).