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

C21H28N2O3 — CID 78793009

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-propan-2-ylanilino)acetamide
SMILESCOc1ccc(CCNC(=O)CNc2ccc(C(C)C)cc2)cc1OC
InChIInChI=1S/C21H28N2O3/c1-15(2)17-6-8-18(9-7-17)23-14-21(24)22-12-11-16-5-10-19(25-3)20(13-16)26-4/h5-10,13,15,23H,11-12,14H2,1-4H3,(H,22,24)
InChIKeyMCRRHERBRKBDKX-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.60
Rot. Bonds9

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

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-propan-2-ylanilino)acetamide (PubChem CID 78793009) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-propan-2-ylanilino)acetamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-propan-2-ylanilino)acetamide
PubChem CID78793009
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-propan-2-ylanilino)acetamide
SMILESCOc1ccc(CCNC(=O)CNc2ccc(C(C)C)cc2)cc1OC
InChIInChI=1S/C21H28N2O3/c1-15(2)17-6-8-18(9-7-17)23-14-21(24)22-12-11-16-5-10-19(25-3)20(13-16)26-4/h5-10,13,15,23H,11-12,14H2,1-4H3,(H,22,24)
InChIKeyMCRRHERBRKBDKX-UHFFFAOYSA-N
XLogP3.60
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromoanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 40684742
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(4-propan-2-ylphenyl)oxamide
CID 2218053
N-[2-(4-chlorophenyl)ethyl]-2-(4-propan-2-ylanilino)acetamide
CID 109002953
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 16545149
2-(2-bromo-4-propan-2-ylphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 1312635
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(N-methylsulfonyl-4-propan-2-ylanilino)acetamide
CID 2899601
4-methoxy-N-methyl-3-[[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl]amino]benzamide
CID 87029422
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 5141905
(E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 6282757
2-amino-N-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]acetamide
CID 60848971
3-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide
CID 60835659
2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 55411502

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-propan-2-ylanilino)acetamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-propan-2-ylanilino)acetamide (CID 78793009) is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-propan-2-ylanilino)acetamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-propan-2-ylanilino)acetamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-propan-2-ylanilino)acetamide is COc1ccc(CCNC(=O)CNc2ccc(C(C)C)cc2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-propan-2-ylanilino)acetamide?
The InChIKey is MCRRHERBRKBDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-15(2)17-6-8-18(9-7-17)23-14-21(24)22-12-11-16-5-10-19(25-3)20(13-16)26-4/h5-10,13,15,23H,11-12,14H2,1-4H3,(H,22,24).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-propan-2-ylanilino)acetamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-propan-2-ylanilino)acetamide has a molecular weight of 356.47 g/mol, XLogP of 3.60, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-propan-2-ylanilino)acetamide is sourced from PubChem (CID 78793009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).