2-[4-[(2S)-2-methoxy-3-oxobutyl]phenoxy]-N-[2-(4-methoxyphenyl)ethyl]acetamide

C22H27NO5 — CID 71178550

IUPAC2-[4-[(2S)-2-methoxy-3-oxobutyl]phenoxy]-N-[2-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)COc2ccc(C[C@H](OC)C(C)=O)cc2)cc1
InChIInChI=1S/C22H27NO5/c1-16(24)21(27-3)14-18-6-10-20(11-7-18)28-15-22(25)23-13-12-17-4-8-19(26-2)9-5-17/h4-11,21H,12-15H2,1-3H3,(H,23,25)/t21-/m0/s1
InChIKeySUQBKGHOCYFRQT-NRFANRHFSA-N
MW385.46 g/mol
LogP2.58
Rot. Bonds11

About 2-[4-[(2S)-2-methoxy-3-oxobutyl]phenoxy]-N-[2-(4-methoxyphenyl)ethyl]acetamide

2-[4-[(2S)-2-methoxy-3-oxobutyl]phenoxy]-N-[2-(4-methoxyphenyl)ethyl]acetamide (PubChem CID 71178550) has the molecular formula C22H27NO5 and a molecular weight of 385.46 g/mol. Its IUPAC name is 2-[4-[(2S)-2-methoxy-3-oxobutyl]phenoxy]-N-[2-(4-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-[(2S)-2-methoxy-3-oxobutyl]phenoxy]-N-[2-(4-methoxyphenyl)ethyl]acetamide
PubChem CID71178550
Molecular FormulaC22H27NO5
Molecular Weight385.46 g/mol
Exact Mass385.19
IUPAC Name2-[4-[(2S)-2-methoxy-3-oxobutyl]phenoxy]-N-[2-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)COc2ccc(C[C@H](OC)C(C)=O)cc2)cc1
InChIInChI=1S/C22H27NO5/c1-16(24)21(27-3)14-18-6-10-20(11-7-18)28-15-22(25)23-13-12-17-4-8-19(26-2)9-5-17/h4-11,21H,12-15H2,1-3H3,(H,23,25)/t21-/m0/s1
InChIKeySUQBKGHOCYFRQT-NRFANRHFSA-N
XLogP2.58
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethynoxy-3-[4-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethoxy]phenyl]propanoic acid
CID 149232219
2-(4-acetamidophenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 2461039
methyl 4-[2-[[2-(4-methoxyphenoxy)acetyl]amino]ethyl]benzoate
CID 36774109
2-[4-[2-[3-(4-methoxyphenyl)propanoylamino]ethyl]phenoxy]acetic acid
CID 119255722
N-[3-(4-methoxyphenyl)propyl]-2-(4-methylphenoxy)acetamide
CID 93165804
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 7846555
3-acetamido-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 8896928
3-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethoxy]benzoic acid
CID 45396627
2-amino-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 24710031
N-[2-(4-methoxyphenyl)ethyl]-2-naphthalen-1-yloxyacetamide
CID 748766
2-(2-bromophenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 7847687
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-phenylphenoxy)acetate
CID 9140643

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2S)-2-methoxy-3-oxobutyl]phenoxy]-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[4-[(2S)-2-methoxy-3-oxobutyl]phenoxy]-N-[2-(4-methoxyphenyl)ethyl]acetamide (CID 71178550) is 2-[4-[(2S)-2-methoxy-3-oxobutyl]phenoxy]-N-[2-(4-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[4-[(2S)-2-methoxy-3-oxobutyl]phenoxy]-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[4-[(2S)-2-methoxy-3-oxobutyl]phenoxy]-N-[2-(4-methoxyphenyl)ethyl]acetamide is COc1ccc(CCNC(=O)COc2ccc(C[C@H](OC)C(C)=O)cc2)cc1.
What is the InChIKey of 2-[4-[(2S)-2-methoxy-3-oxobutyl]phenoxy]-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The InChIKey is SUQBKGHOCYFRQT-NRFANRHFSA-N. The full InChI is InChI=1S/C22H27NO5/c1-16(24)21(27-3)14-18-6-10-20(11-7-18)28-15-22(25)23-13-12-17-4-8-19(26-2)9-5-17/h4-11,21H,12-15H2,1-3H3,(H,23,25)/t21-/m0/s1.
What are the key properties of 2-[4-[(2S)-2-methoxy-3-oxobutyl]phenoxy]-N-[2-(4-methoxyphenyl)ethyl]acetamide?
2-[4-[(2S)-2-methoxy-3-oxobutyl]phenoxy]-N-[2-(4-methoxyphenyl)ethyl]acetamide has a molecular weight of 385.46 g/mol, XLogP of 2.58, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2S)-2-methoxy-3-oxobutyl]phenoxy]-N-[2-(4-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 71178550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).