N-(4-tert-butylphenyl)-2-[(2,4-dimethoxyphenyl)methyl-methylamino]acetamide

C22H30N2O3 — CID 9101281

IUPACN-(4-tert-butylphenyl)-2-[(2,4-dimethoxyphenyl)methyl-methylamino]acetamide
SMILESCOc1ccc(CN(C)CC(=O)Nc2ccc(C(C)(C)C)cc2)c(OC)c1
InChIInChI=1S/C22H30N2O3/c1-22(2,3)17-8-10-18(11-9-17)23-21(25)15-24(4)14-16-7-12-19(26-5)13-20(16)27-6/h7-13H,14-15H2,1-6H3,(H,23,25)
InChIKeyUXAJUWQZHSJBLG-UHFFFAOYSA-N
MW370.49 g/mol
LogP4.07
Rot. Bonds7

About N-(4-tert-butylphenyl)-2-[(2,4-dimethoxyphenyl)methyl-methylamino]acetamide

N-(4-tert-butylphenyl)-2-[(2,4-dimethoxyphenyl)methyl-methylamino]acetamide (PubChem CID 9101281) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2-[(2,4-dimethoxyphenyl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-2-[(2,4-dimethoxyphenyl)methyl-methylamino]acetamide
PubChem CID9101281
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC NameN-(4-tert-butylphenyl)-2-[(2,4-dimethoxyphenyl)methyl-methylamino]acetamide
SMILESCOc1ccc(CN(C)CC(=O)Nc2ccc(C(C)(C)C)cc2)c(OC)c1
InChIInChI=1S/C22H30N2O3/c1-22(2,3)17-8-10-18(11-9-17)23-21(25)15-24(4)14-16-7-12-19(26-5)13-20(16)27-6/h7-13H,14-15H2,1-6H3,(H,23,25)
InChIKeyUXAJUWQZHSJBLG-UHFFFAOYSA-N
XLogP4.07
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2698960
N-(4-acetylphenyl)-2-[(2,4-dimethoxyphenyl)methyl-methylamino]acetamide
CID 9101527
2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(3-methoxyphenyl)acetamide
CID 8007102
2-[(2,5-dimethoxyphenyl)methyl-methylamino]-N-(4-methylphenyl)acetamide
CID 8786291
2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(2-formyl-4-methoxyphenyl)acetamide
CID 142401642
2-[(2,4-dimethoxyphenyl)methyl-methylamino]acetic acid
CID 60712632
2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(2-methylsulfonylphenyl)acetamide
CID 8845928
2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 2657594
2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 18155963
2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(4-methoxyphenyl)acetamide
CID 9053961
2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 8641843
N-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 2656678

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-2-[(2,4-dimethoxyphenyl)methyl-methylamino]acetamide?
The IUPAC name of N-(4-tert-butylphenyl)-2-[(2,4-dimethoxyphenyl)methyl-methylamino]acetamide (CID 9101281) is N-(4-tert-butylphenyl)-2-[(2,4-dimethoxyphenyl)methyl-methylamino]acetamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-2-[(2,4-dimethoxyphenyl)methyl-methylamino]acetamide?
The canonical SMILES for N-(4-tert-butylphenyl)-2-[(2,4-dimethoxyphenyl)methyl-methylamino]acetamide is COc1ccc(CN(C)CC(=O)Nc2ccc(C(C)(C)C)cc2)c(OC)c1.
What is the InChIKey of N-(4-tert-butylphenyl)-2-[(2,4-dimethoxyphenyl)methyl-methylamino]acetamide?
The InChIKey is UXAJUWQZHSJBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-22(2,3)17-8-10-18(11-9-17)23-21(25)15-24(4)14-16-7-12-19(26-5)13-20(16)27-6/h7-13H,14-15H2,1-6H3,(H,23,25).
What are the key properties of N-(4-tert-butylphenyl)-2-[(2,4-dimethoxyphenyl)methyl-methylamino]acetamide?
N-(4-tert-butylphenyl)-2-[(2,4-dimethoxyphenyl)methyl-methylamino]acetamide has a molecular weight of 370.49 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-2-[(2,4-dimethoxyphenyl)methyl-methylamino]acetamide is sourced from PubChem (CID 9101281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).