N-(4-tert-butylphenyl)-2-(3,4-dimethoxyphenyl)acetamide

C20H25NO3 — CID 7741769

IUPACN-(4-tert-butylphenyl)-2-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(C(C)(C)C)cc2)cc1OC
InChIInChI=1S/C20H25NO3/c1-20(2,3)15-7-9-16(10-8-15)21-19(22)13-14-6-11-17(23-4)18(12-14)24-5/h6-12H,13H2,1-5H3,(H,21,22)
InChIKeyRDDOTQJVDAQMHZ-UHFFFAOYSA-N
MW327.42 g/mol
LogP4.18
Rot. Bonds5

About N-(4-tert-butylphenyl)-2-(3,4-dimethoxyphenyl)acetamide

N-(4-tert-butylphenyl)-2-(3,4-dimethoxyphenyl)acetamide (PubChem CID 7741769) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2-(3,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-2-(3,4-dimethoxyphenyl)acetamide
PubChem CID7741769
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC NameN-(4-tert-butylphenyl)-2-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(C(C)(C)C)cc2)cc1OC
InChIInChI=1S/C20H25NO3/c1-20(2,3)15-7-9-16(10-8-15)21-19(22)13-14-6-11-17(23-4)18(12-14)24-5/h6-12H,13H2,1-5H3,(H,21,22)
InChIKeyRDDOTQJVDAQMHZ-UHFFFAOYSA-N
XLogP4.18
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzoic acid
CID 2738551
3-(4-tert-butylphenyl)-N-(3,4-dimethoxyphenyl)propanamide
CID 19221168
[2-(4-tert-butylanilino)-2-oxoethyl] 3-(3,4-dimethoxyphenyl)propanoate
CID 40628747
tert-butyl N-[3-[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]anilino]-3-oxopropyl]carbamate
CID 108919920
2-[[2-[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]phenyl]acetyl]amino]acetic acid
CID 119224501
1-(4-tert-butylphenyl)-3-(3,4-dimethoxyphenyl)urea
CID 108866246
N-(3,5-dichlorophenyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 3482890
N-(4-tert-butylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 7914234
N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3,4-dimethoxybenzamide
CID 15994045
2-(3,4-dimethoxyphenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 7686452
methyl 2-chloro-5-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzoate
CID 38236695
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 2101244

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-2-(3,4-dimethoxyphenyl)acetamide?
The IUPAC name of N-(4-tert-butylphenyl)-2-(3,4-dimethoxyphenyl)acetamide (CID 7741769) is N-(4-tert-butylphenyl)-2-(3,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-2-(3,4-dimethoxyphenyl)acetamide?
The canonical SMILES for N-(4-tert-butylphenyl)-2-(3,4-dimethoxyphenyl)acetamide is COc1ccc(CC(=O)Nc2ccc(C(C)(C)C)cc2)cc1OC.
What is the InChIKey of N-(4-tert-butylphenyl)-2-(3,4-dimethoxyphenyl)acetamide?
The InChIKey is RDDOTQJVDAQMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-20(2,3)15-7-9-16(10-8-15)21-19(22)13-14-6-11-17(23-4)18(12-14)24-5/h6-12H,13H2,1-5H3,(H,21,22).
What are the key properties of N-(4-tert-butylphenyl)-2-(3,4-dimethoxyphenyl)acetamide?
N-(4-tert-butylphenyl)-2-(3,4-dimethoxyphenyl)acetamide has a molecular weight of 327.42 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-2-(3,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 7741769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).