N-methyl-2-[3-[2-[methyl(2-phenylethyl)amino]-2-oxoethoxy]-5-phenylmethoxyphenyl]-N-(2-phenylethyl)acetamide

C35H38N2O4 — CID 19746251

IUPACN-methyl-2-[3-[2-[methyl(2-phenylethyl)amino]-2-oxoethoxy]-5-phenylmethoxyphenyl]-N-(2-phenylethyl)acetamide
SMILESCN(CCc1ccccc1)C(=O)COc1cc(CC(=O)N(C)CCc2ccccc2)cc(OCc2ccccc2)c1
InChIInChI=1S/C35H38N2O4/c1-36(20-18-28-12-6-3-7-13-28)34(38)24-31-22-32(40-26-30-16-10-5-11-17-30)25-33(23-31)41-27-35(39)37(2)21-19-29-14-8-4-9-15-29/h3-17,22-23,25H,18-21,24,26-27H2,1-2H3
InChIKeyYXJPSPXSXWIJCW-UHFFFAOYSA-N
MW550.70 g/mol
LogP5.59
Rot. Bonds14

About N-methyl-2-[3-[2-[methyl(2-phenylethyl)amino]-2-oxoethoxy]-5-phenylmethoxyphenyl]-N-(2-phenylethyl)acetamide

N-methyl-2-[3-[2-[methyl(2-phenylethyl)amino]-2-oxoethoxy]-5-phenylmethoxyphenyl]-N-(2-phenylethyl)acetamide (PubChem CID 19746251) has the molecular formula C35H38N2O4 and a molecular weight of 550.70 g/mol. Its IUPAC name is N-methyl-2-[3-[2-[methyl(2-phenylethyl)amino]-2-oxoethoxy]-5-phenylmethoxyphenyl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-[3-[2-[methyl(2-phenylethyl)amino]-2-oxoethoxy]-5-phenylmethoxyphenyl]-N-(2-phenylethyl)acetamide
PubChem CID19746251
Molecular FormulaC35H38N2O4
Molecular Weight550.70 g/mol
Exact Mass550.28
IUPAC NameN-methyl-2-[3-[2-[methyl(2-phenylethyl)amino]-2-oxoethoxy]-5-phenylmethoxyphenyl]-N-(2-phenylethyl)acetamide
SMILESCN(CCc1ccccc1)C(=O)COc1cc(CC(=O)N(C)CCc2ccccc2)cc(OCc2ccccc2)c1
InChIInChI=1S/C35H38N2O4/c1-36(20-18-28-12-6-3-7-13-28)34(38)24-31-22-32(40-26-30-16-10-5-11-17-30)25-33(23-31)41-27-35(39)37(2)21-19-29-14-8-4-9-15-29/h3-17,22-23,25H,18-21,24,26-27H2,1-2H3
InChIKeyYXJPSPXSXWIJCW-UHFFFAOYSA-N
XLogP5.59
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.70
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-3-[3-chloro-5-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-2-phenylmethoxyphenyl]prop-2-enoic acid
CID 19746259
2-(3-aminophenyl)-N-methyl-N-(2-phenylethyl)acetamide
CID 62499017
N-methyl-2-phenoxy-N-[2-(3,4,5-trimethoxyphenyl)ethyl]acetamide
CID 113095748
N-benzyl-2-[3,5-bis(phenylmethoxy)phenyl]-N-[5-(4-phenylbutoxy)pentyl]acetamide
CID 70494401
2-[1-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-5-phenylmethoxyindol-3-yl]acetic acid
CID 11798055
methyl (Z)-3-[5-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-2-phenylmethoxyphenyl]prop-2-enoate
CID 10646909
4-[[2-(3-ethylphenoxy)acetyl]-methylamino]butanoic acid
CID 43240334
3-[methyl-[2-[3-[(3-methylphenyl)methoxy]phenyl]acetyl]amino]propanoic acid
CID 119362771
3-[5-[2-[methyl(2-phenylethyl)amino]-2-oxoethoxy]-1-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]indol-3-yl]propanoic acid
CID 54082208
3-[1-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-6-phenylmethoxyindol-3-yl]propanoic acid
CID 19372228
N,N-dimethyl-2-(4-phenylmethoxyphenyl)acetamide;ethane
CID 143396477
5-[4-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-8-phenylmethoxynaphthalen-2-yl]penta-3,4-dienoic acid
CID 15296686

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[3-[2-[methyl(2-phenylethyl)amino]-2-oxoethoxy]-5-phenylmethoxyphenyl]-N-(2-phenylethyl)acetamide?
The IUPAC name of N-methyl-2-[3-[2-[methyl(2-phenylethyl)amino]-2-oxoethoxy]-5-phenylmethoxyphenyl]-N-(2-phenylethyl)acetamide (CID 19746251) is N-methyl-2-[3-[2-[methyl(2-phenylethyl)amino]-2-oxoethoxy]-5-phenylmethoxyphenyl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for N-methyl-2-[3-[2-[methyl(2-phenylethyl)amino]-2-oxoethoxy]-5-phenylmethoxyphenyl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for N-methyl-2-[3-[2-[methyl(2-phenylethyl)amino]-2-oxoethoxy]-5-phenylmethoxyphenyl]-N-(2-phenylethyl)acetamide is CN(CCc1ccccc1)C(=O)COc1cc(CC(=O)N(C)CCc2ccccc2)cc(OCc2ccccc2)c1.
What is the InChIKey of N-methyl-2-[3-[2-[methyl(2-phenylethyl)amino]-2-oxoethoxy]-5-phenylmethoxyphenyl]-N-(2-phenylethyl)acetamide?
The InChIKey is YXJPSPXSXWIJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H38N2O4/c1-36(20-18-28-12-6-3-7-13-28)34(38)24-31-22-32(40-26-30-16-10-5-11-17-30)25-33(23-31)41-27-35(39)37(2)21-19-29-14-8-4-9-15-29/h3-17,22-23,25H,18-21,24,26-27H2,1-2H3.
What are the key properties of N-methyl-2-[3-[2-[methyl(2-phenylethyl)amino]-2-oxoethoxy]-5-phenylmethoxyphenyl]-N-(2-phenylethyl)acetamide?
N-methyl-2-[3-[2-[methyl(2-phenylethyl)amino]-2-oxoethoxy]-5-phenylmethoxyphenyl]-N-(2-phenylethyl)acetamide has a molecular weight of 550.70 g/mol, XLogP of 5.59, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[3-[2-[methyl(2-phenylethyl)amino]-2-oxoethoxy]-5-phenylmethoxyphenyl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 19746251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).