N-(2,4-dimethoxyphenyl)-2-(3-methoxyphenyl)-2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]acetamide

C33H34N2O5 — CID 43821069

IUPACN-(2,4-dimethoxyphenyl)-2-(3-methoxyphenyl)-2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]acetamide
SMILESCOc1cccc(C(C(=O)Nc2ccc(OC)cc2OC)N(Cc2ccc(C)cc2)C(=O)Cc2ccccc2)c1
InChIInChI=1S/C33H34N2O5/c1-23-13-15-25(16-14-23)22-35(31(36)19-24-9-6-5-7-10-24)32(26-11-8-12-27(20-26)38-2)33(37)34-29-18-17-28(39-3)21-30(29)40-4/h5-18,20-21,32H,19,22H2,1-4H3,(H,34,37)
InChIKeyKLUIFCHDCXPTCX-UHFFFAOYSA-N
MW538.64 g/mol
LogP5.97
Rot. Bonds11

About N-(2,4-dimethoxyphenyl)-2-(3-methoxyphenyl)-2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]acetamide

N-(2,4-dimethoxyphenyl)-2-(3-methoxyphenyl)-2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]acetamide (PubChem CID 43821069) has the molecular formula C33H34N2O5 and a molecular weight of 538.64 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-(3-methoxyphenyl)-2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]acetamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-(3-methoxyphenyl)-2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]acetamide
PubChem CID43821069
Molecular FormulaC33H34N2O5
Molecular Weight538.64 g/mol
Exact Mass538.25
IUPAC NameN-(2,4-dimethoxyphenyl)-2-(3-methoxyphenyl)-2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]acetamide
SMILESCOc1cccc(C(C(=O)Nc2ccc(OC)cc2OC)N(Cc2ccc(C)cc2)C(=O)Cc2ccccc2)c1
InChIInChI=1S/C33H34N2O5/c1-23-13-15-25(16-14-23)22-35(31(36)19-24-9-6-5-7-10-24)32(26-11-8-12-27(20-26)38-2)33(37)34-29-18-17-28(39-3)21-30(29)40-4/h5-18,20-21,32H,19,22H2,1-4H3,(H,34,37)
InChIKeyKLUIFCHDCXPTCX-UHFFFAOYSA-N
XLogP5.97
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.64
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]acetamide
CID 43821070
N-(2,4-dimethoxyphenyl)-2-(3-fluorophenyl)-2-[(2-methylphenyl)methyl-(2-phenylacetyl)amino]acetamide
CID 43821085
N-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl-(2-phenylacetyl)amino]-2-(4-methylphenyl)acetamide
CID 43820811
N-(4-methoxyphenyl)-2-(4-methylphenyl)-2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]acetamide
CID 43820764
N-(2,4-dimethoxyphenyl)-2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-[(4-fluorophenyl)methyl]amino]-2-(3-methoxyphenyl)acetamide
CID 43821870
2-[[2-(3,4-dimethoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]-2-phenylacetamide
CID 133238567
N-(2,4-dimethoxyphenyl)-2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-[(4-methoxyphenyl)methyl]amino]-2-(4-methylphenyl)acetamide
CID 43821785
(2S)-N-(2,4-dimethoxyphenyl)-2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-[(4-methylphenyl)methyl]amino]-2-(4-methoxyphenyl)acetamide
CID 98203513
2-(3-methoxyphenyl)-2-[(4-methoxyphenyl)methyl-(2-phenylacetyl)amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 43821427
N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methoxyphenyl)methyl-(2-phenylacetyl)amino]-2-phenylacetamide
CID 133238791
N-[4-(dimethylamino)phenyl]-2-(3-methoxyphenyl)-2-[(2-methylphenyl)methyl-(2-phenylacetyl)amino]acetamide
CID 43820935
N-(2,4-dimethoxyphenyl)-2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-[(4-methylphenyl)methyl]amino]-2-(4-propan-2-ylphenyl)acetamide
CID 43821734

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-(3-methoxyphenyl)-2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]acetamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-(3-methoxyphenyl)-2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]acetamide (CID 43821069) is N-(2,4-dimethoxyphenyl)-2-(3-methoxyphenyl)-2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]acetamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-(3-methoxyphenyl)-2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]acetamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-(3-methoxyphenyl)-2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]acetamide is COc1cccc(C(C(=O)Nc2ccc(OC)cc2OC)N(Cc2ccc(C)cc2)C(=O)Cc2ccccc2)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-(3-methoxyphenyl)-2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]acetamide?
The InChIKey is KLUIFCHDCXPTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34N2O5/c1-23-13-15-25(16-14-23)22-35(31(36)19-24-9-6-5-7-10-24)32(26-11-8-12-27(20-26)38-2)33(37)34-29-18-17-28(39-3)21-30(29)40-4/h5-18,20-21,32H,19,22H2,1-4H3,(H,34,37).
What are the key properties of N-(2,4-dimethoxyphenyl)-2-(3-methoxyphenyl)-2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]acetamide?
N-(2,4-dimethoxyphenyl)-2-(3-methoxyphenyl)-2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]acetamide has a molecular weight of 538.64 g/mol, XLogP of 5.97, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-(3-methoxyphenyl)-2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]acetamide is sourced from PubChem (CID 43821069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).