2-(3-ethylphenoxy)-N-[(1R)-1-[4-(phenylcarbamoylamino)phenyl]ethyl]acetamide

C25H27N3O3 — CID 51950842

IUPAC2-(3-ethylphenoxy)-N-[(1R)-1-[4-(phenylcarbamoylamino)phenyl]ethyl]acetamide
SMILESCCc1cccc(OCC(=O)N[C@H](C)c2ccc(NC(=O)Nc3ccccc3)cc2)c1
InChIInChI=1S/C25H27N3O3/c1-3-19-8-7-11-23(16-19)31-17-24(29)26-18(2)20-12-14-22(15-13-20)28-25(30)27-21-9-5-4-6-10-21/h4-16,18H,3,17H2,1-2H3,(H,26,29)(H2,27,28,30)/t18-/m1/s1
InChIKeyJKCAVPHFYPCFKM-GOSISDBHSA-N
MW417.51 g/mol
LogP5.15
Rot. Bonds8

About 2-(3-ethylphenoxy)-N-[(1R)-1-[4-(phenylcarbamoylamino)phenyl]ethyl]acetamide

2-(3-ethylphenoxy)-N-[(1R)-1-[4-(phenylcarbamoylamino)phenyl]ethyl]acetamide (PubChem CID 51950842) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is 2-(3-ethylphenoxy)-N-[(1R)-1-[4-(phenylcarbamoylamino)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-(3-ethylphenoxy)-N-[(1R)-1-[4-(phenylcarbamoylamino)phenyl]ethyl]acetamide
PubChem CID51950842
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC Name2-(3-ethylphenoxy)-N-[(1R)-1-[4-(phenylcarbamoylamino)phenyl]ethyl]acetamide
SMILESCCc1cccc(OCC(=O)N[C@H](C)c2ccc(NC(=O)Nc3ccccc3)cc2)c1
InChIInChI=1S/C25H27N3O3/c1-3-19-8-7-11-23(16-19)31-17-24(29)26-18(2)20-12-14-22(15-13-20)28-25(30)27-21-9-5-4-6-10-21/h4-16,18H,3,17H2,1-2H3,(H,26,29)(H2,27,28,30)/t18-/m1/s1
InChIKeyJKCAVPHFYPCFKM-GOSISDBHSA-N
XLogP5.15
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.51
LogP ≤ 55.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(3-ethylphenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 43912204
N-[1-(4-ethylphenyl)ethyl]-2-phenoxyacetamide
CID 17326821
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(3-ethylphenoxy)acetamide
CID 43019131
N-[4-[1-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide
CID 55618064
2-(3-ethylphenoxy)-N-(4-hydroxyphenyl)acetamide
CID 51186827
2-(3-methylphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 879297
2-(3-methoxyphenoxy)-N-(1-phenylethyl)acetamide
CID 19204047
(2S)-2-[[2-(3-ethylphenoxy)acetyl]amino]-4-methylpentanoic acid
CID 61138039
2-[[2-(3-ethylphenoxy)acetyl]amino]-3-hydroxybutanoic acid
CID 43238757
(2R)-2-[[2-(3-ethylphenoxy)acetyl]amino]-4-methylpentanoic acid
CID 78975786
(2S,3R)-2-[[2-(3-ethylphenoxy)acetyl]amino]-3-hydroxybutanoic acid
CID 104964462
2-(3-iodophenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 7694493

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylphenoxy)-N-[(1R)-1-[4-(phenylcarbamoylamino)phenyl]ethyl]acetamide?
The IUPAC name of 2-(3-ethylphenoxy)-N-[(1R)-1-[4-(phenylcarbamoylamino)phenyl]ethyl]acetamide (CID 51950842) is 2-(3-ethylphenoxy)-N-[(1R)-1-[4-(phenylcarbamoylamino)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-(3-ethylphenoxy)-N-[(1R)-1-[4-(phenylcarbamoylamino)phenyl]ethyl]acetamide?
The canonical SMILES for 2-(3-ethylphenoxy)-N-[(1R)-1-[4-(phenylcarbamoylamino)phenyl]ethyl]acetamide is CCc1cccc(OCC(=O)N[C@H](C)c2ccc(NC(=O)Nc3ccccc3)cc2)c1.
What is the InChIKey of 2-(3-ethylphenoxy)-N-[(1R)-1-[4-(phenylcarbamoylamino)phenyl]ethyl]acetamide?
The InChIKey is JKCAVPHFYPCFKM-GOSISDBHSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-3-19-8-7-11-23(16-19)31-17-24(29)26-18(2)20-12-14-22(15-13-20)28-25(30)27-21-9-5-4-6-10-21/h4-16,18H,3,17H2,1-2H3,(H,26,29)(H2,27,28,30)/t18-/m1/s1.
What are the key properties of 2-(3-ethylphenoxy)-N-[(1R)-1-[4-(phenylcarbamoylamino)phenyl]ethyl]acetamide?
2-(3-ethylphenoxy)-N-[(1R)-1-[4-(phenylcarbamoylamino)phenyl]ethyl]acetamide has a molecular weight of 417.51 g/mol, XLogP of 5.15, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylphenoxy)-N-[(1R)-1-[4-(phenylcarbamoylamino)phenyl]ethyl]acetamide is sourced from PubChem (CID 51950842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).