N-[3-[(1S)-1-[[2-(4-methoxyphenoxy)acetyl]amino]ethyl]phenyl]benzamide

C24H24N2O4 — CID 51727122

IUPACN-[3-[(1S)-1-[[2-(4-methoxyphenoxy)acetyl]amino]ethyl]phenyl]benzamide
SMILESCOc1ccc(OCC(=O)N[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)cc1
InChIInChI=1S/C24H24N2O4/c1-17(25-23(27)16-30-22-13-11-21(29-2)12-14-22)19-9-6-10-20(15-19)26-24(28)18-7-4-3-5-8-18/h3-15,17H,16H2,1-2H3,(H,25,27)(H,26,28)/t17-/m0/s1
InChIKeyYEKDJZYCCXDGFG-KRWDZBQOSA-N
MW404.47 g/mol
LogP4.20
Rot. Bonds8

About N-[3-[(1S)-1-[[2-(4-methoxyphenoxy)acetyl]amino]ethyl]phenyl]benzamide

N-[3-[(1S)-1-[[2-(4-methoxyphenoxy)acetyl]amino]ethyl]phenyl]benzamide (PubChem CID 51727122) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-[3-[(1S)-1-[[2-(4-methoxyphenoxy)acetyl]amino]ethyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[3-[(1S)-1-[[2-(4-methoxyphenoxy)acetyl]amino]ethyl]phenyl]benzamide
PubChem CID51727122
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC NameN-[3-[(1S)-1-[[2-(4-methoxyphenoxy)acetyl]amino]ethyl]phenyl]benzamide
SMILESCOc1ccc(OCC(=O)N[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)cc1
InChIInChI=1S/C24H24N2O4/c1-17(25-23(27)16-30-22-13-11-21(29-2)12-14-22)19-9-6-10-20(15-19)26-24(28)18-7-4-3-5-8-18/h3-15,17H,16H2,1-2H3,(H,25,27)(H,26,28)/t17-/m0/s1
InChIKeyYEKDJZYCCXDGFG-KRWDZBQOSA-N
XLogP4.20
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[1-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]phenyl]benzamide
CID 46456558
2-(4-methoxyphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 836085
N-[3-[1-[[2-(2-chlorophenoxy)acetyl]amino]ethyl]phenyl]benzamide
CID 42960826
N-[3-[1-[(2-naphthalen-1-ylacetyl)amino]ethyl]phenyl]benzamide
CID 46464519
N-[1-(3-acetamidophenyl)ethyl]-2-(4-bromophenoxy)acetamide
CID 46580359
3-[(2-phenoxyacetyl)amino]-N-(1-phenylethyl)benzamide
CID 43877736
2-(3-methoxyphenoxy)-N-(1-phenylethyl)acetamide
CID 19204047
N-[3-[(1S)-1-[[2-[(2-phenylacetyl)amino]acetyl]amino]ethyl]phenyl]benzamide
CID 51725330
N-[3-[1-[4-(4-methoxyphenoxy)butanoyl-methylamino]ethyl]phenyl]benzamide
CID 46533483
3-[[2-(4-methoxyphenyl)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 43877752
N-[3-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide
CID 17231339
3-[[2-(4-ethylphenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 43877775

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1S)-1-[[2-(4-methoxyphenoxy)acetyl]amino]ethyl]phenyl]benzamide?
The IUPAC name of N-[3-[(1S)-1-[[2-(4-methoxyphenoxy)acetyl]amino]ethyl]phenyl]benzamide (CID 51727122) is N-[3-[(1S)-1-[[2-(4-methoxyphenoxy)acetyl]amino]ethyl]phenyl]benzamide.
What is the SMILES notation for N-[3-[(1S)-1-[[2-(4-methoxyphenoxy)acetyl]amino]ethyl]phenyl]benzamide?
The canonical SMILES for N-[3-[(1S)-1-[[2-(4-methoxyphenoxy)acetyl]amino]ethyl]phenyl]benzamide is COc1ccc(OCC(=O)N[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)cc1.
What is the InChIKey of N-[3-[(1S)-1-[[2-(4-methoxyphenoxy)acetyl]amino]ethyl]phenyl]benzamide?
The InChIKey is YEKDJZYCCXDGFG-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H24N2O4/c1-17(25-23(27)16-30-22-13-11-21(29-2)12-14-22)19-9-6-10-20(15-19)26-24(28)18-7-4-3-5-8-18/h3-15,17H,16H2,1-2H3,(H,25,27)(H,26,28)/t17-/m0/s1.
What are the key properties of N-[3-[(1S)-1-[[2-(4-methoxyphenoxy)acetyl]amino]ethyl]phenyl]benzamide?
N-[3-[(1S)-1-[[2-(4-methoxyphenoxy)acetyl]amino]ethyl]phenyl]benzamide has a molecular weight of 404.47 g/mol, XLogP of 4.20, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1S)-1-[[2-(4-methoxyphenoxy)acetyl]amino]ethyl]phenyl]benzamide is sourced from PubChem (CID 51727122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).