ethane;2-phenyl-N-[4-[[4-[(2-phenylacetyl)amino]phenyl]methyl]phenyl]acetamide

C37H50N2O2 — CID 123587423

IUPACethane;2-phenyl-N-[4-[[4-[(2-phenylacetyl)amino]phenyl]methyl]phenyl]acetamide
SMILESCC.CC.CC.CC.O=C(Cc1ccccc1)Nc1ccc(Cc2ccc(NC(=O)Cc3ccccc3)cc2)cc1
InChIInChI=1S/C29H26N2O2.4C2H6/c32-28(20-22-7-3-1-4-8-22)30-26-15-11-24(12-16-26)19-25-13-17-27(18-14-25)31-29(33)21-23-9-5-2-6-10-23;4*1-2/h1-18H,19-21H2,(H,30,32)(H,31,33);4*1-2H3
InChIKeyJJTJHYOVFYHGGM-UHFFFAOYSA-N
MW554.82 g/mol
LogP9.74
Rot. Bonds8

About ethane;2-phenyl-N-[4-[[4-[(2-phenylacetyl)amino]phenyl]methyl]phenyl]acetamide

ethane;2-phenyl-N-[4-[[4-[(2-phenylacetyl)amino]phenyl]methyl]phenyl]acetamide (PubChem CID 123587423) has the molecular formula C37H50N2O2 and a molecular weight of 554.82 g/mol. Its IUPAC name is ethane;2-phenyl-N-[4-[[4-[(2-phenylacetyl)amino]phenyl]methyl]phenyl]acetamide.

Molecular Properties

Compound Nameethane;2-phenyl-N-[4-[[4-[(2-phenylacetyl)amino]phenyl]methyl]phenyl]acetamide
PubChem CID123587423
Molecular FormulaC37H50N2O2
Molecular Weight554.82 g/mol
Exact Mass554.39
IUPAC Nameethane;2-phenyl-N-[4-[[4-[(2-phenylacetyl)amino]phenyl]methyl]phenyl]acetamide
SMILESCC.CC.CC.CC.O=C(Cc1ccccc1)Nc1ccc(Cc2ccc(NC(=O)Cc3ccccc3)cc2)cc1
InChIInChI=1S/C29H26N2O2.4C2H6/c32-28(20-22-7-3-1-4-8-22)30-26-15-11-24(12-16-26)19-25-13-17-27(18-14-25)31-29(33)21-23-9-5-2-6-10-23;4*1-2/h1-18H,19-21H2,(H,30,32)(H,31,33);4*1-2H3
InChIKeyJJTJHYOVFYHGGM-UHFFFAOYSA-N
XLogP9.74
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.82
LogP ≤ 59.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-ethylphenyl)-2-phenylacetamide
CID 2684383
N-[4-[(2-phenylacetyl)amino]phenyl]propanamide
CID 1274275
N-[4-(2-bromoethyl)phenyl]-2-phenylacetamide
CID 114310172
2-phenyl-N-(4-propylphenyl)acetamide
CID 126501660
N-(4-formylphenyl)-2-phenylacetamide
CID 56932050
1-(4-benzylphenyl)-3-methylurea
CID 145326557
N-[4-[[benzyl(propyl)amino]methyl]phenyl]-2-phenylacetamide
CID 166633000
N-[4-(dimethylamino)phenyl]-2-phenylacetamide
CID 4095589
N-[4-(tert-butylamino)phenyl]-2-phenylacetamide
CID 112984887
N-[4-[(1R)-1-hydroxyethyl]phenyl]-2-phenylacetamide
CID 93090514
N-[4-(cyanomethyl)phenyl]-2-phenylacetamide
CID 674697
N-[4-(4-chloroanilino)phenyl]-2-phenylacetamide
CID 112987026

Frequently Asked Questions

What is the IUPAC name of ethane;2-phenyl-N-[4-[[4-[(2-phenylacetyl)amino]phenyl]methyl]phenyl]acetamide?
The IUPAC name of ethane;2-phenyl-N-[4-[[4-[(2-phenylacetyl)amino]phenyl]methyl]phenyl]acetamide (CID 123587423) is ethane;2-phenyl-N-[4-[[4-[(2-phenylacetyl)amino]phenyl]methyl]phenyl]acetamide.
What is the SMILES notation for ethane;2-phenyl-N-[4-[[4-[(2-phenylacetyl)amino]phenyl]methyl]phenyl]acetamide?
The canonical SMILES for ethane;2-phenyl-N-[4-[[4-[(2-phenylacetyl)amino]phenyl]methyl]phenyl]acetamide is CC.CC.CC.CC.O=C(Cc1ccccc1)Nc1ccc(Cc2ccc(NC(=O)Cc3ccccc3)cc2)cc1.
What is the InChIKey of ethane;2-phenyl-N-[4-[[4-[(2-phenylacetyl)amino]phenyl]methyl]phenyl]acetamide?
The InChIKey is JJTJHYOVFYHGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N2O2.4C2H6/c32-28(20-22-7-3-1-4-8-22)30-26-15-11-24(12-16-26)19-25-13-17-27(18-14-25)31-29(33)21-23-9-5-2-6-10-23;4*1-2/h1-18H,19-21H2,(H,30,32)(H,31,33);4*1-2H3.
What are the key properties of ethane;2-phenyl-N-[4-[[4-[(2-phenylacetyl)amino]phenyl]methyl]phenyl]acetamide?
ethane;2-phenyl-N-[4-[[4-[(2-phenylacetyl)amino]phenyl]methyl]phenyl]acetamide has a molecular weight of 554.82 g/mol, XLogP of 9.74, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-phenyl-N-[4-[[4-[(2-phenylacetyl)amino]phenyl]methyl]phenyl]acetamide is sourced from PubChem (CID 123587423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).