N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methyl-N-propan-2-ylanilino)acetamide

C22H30N2O3 — CID 86893446

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methyl-N-propan-2-ylanilino)acetamide
SMILESCOc1ccc(CCNC(=O)CN(c2ccccc2C)C(C)C)cc1OC
InChIInChI=1S/C22H30N2O3/c1-16(2)24(19-9-7-6-8-17(19)3)15-22(25)23-13-12-18-10-11-20(26-4)21(14-18)27-5/h6-11,14,16H,12-13,15H2,1-5H3,(H,23,25)
InChIKeyVBKCQEXXVHRDKS-UHFFFAOYSA-N
MW370.49 g/mol
LogP3.59
Rot. Bonds9

About N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methyl-N-propan-2-ylanilino)acetamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methyl-N-propan-2-ylanilino)acetamide (PubChem CID 86893446) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methyl-N-propan-2-ylanilino)acetamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methyl-N-propan-2-ylanilino)acetamide
PubChem CID86893446
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methyl-N-propan-2-ylanilino)acetamide
SMILESCOc1ccc(CCNC(=O)CN(c2ccccc2C)C(C)C)cc1OC
InChIInChI=1S/C22H30N2O3/c1-16(2)24(19-9-7-6-8-17(19)3)15-22(25)23-13-12-18-10-11-20(26-4)21(14-18)27-5/h6-11,14,16H,12-13,15H2,1-5H3,(H,23,25)
InChIKeyVBKCQEXXVHRDKS-UHFFFAOYSA-N
XLogP3.59
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 126412284
2-[acetyl(2-methylpropyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 113158865
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methylphenoxy)propanamide
CID 9245794
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 748754
2-(N-acetyl-2,4,6-trimethylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 113169973
2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-N-(2-phenylethyl)acetamide
CID 32663206
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[1-(2-methylphenyl)ethyl]urea
CID 42924612
2-[(2-chlorophenyl)methyl-methylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 26515600
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 2894039
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2,6-dimethylanilino)propanamide
CID 109027750
3-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide
CID 60835659
N'-butan-2-yl-N-[2-(3,4-dimethoxyphenyl)ethyl]propanediamide
CID 108941786

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methyl-N-propan-2-ylanilino)acetamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methyl-N-propan-2-ylanilino)acetamide (CID 86893446) is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methyl-N-propan-2-ylanilino)acetamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methyl-N-propan-2-ylanilino)acetamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methyl-N-propan-2-ylanilino)acetamide is COc1ccc(CCNC(=O)CN(c2ccccc2C)C(C)C)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methyl-N-propan-2-ylanilino)acetamide?
The InChIKey is VBKCQEXXVHRDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-16(2)24(19-9-7-6-8-17(19)3)15-22(25)23-13-12-18-10-11-20(26-4)21(14-18)27-5/h6-11,14,16H,12-13,15H2,1-5H3,(H,23,25).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methyl-N-propan-2-ylanilino)acetamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methyl-N-propan-2-ylanilino)acetamide has a molecular weight of 370.49 g/mol, XLogP of 3.59, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methyl-N-propan-2-ylanilino)acetamide is sourced from PubChem (CID 86893446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).