N-benzyl-N-(4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)acetamide

C25H27NO4 — CID 7598419

IUPACN-benzyl-N-(4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(CC(=O)N(Cc2ccccc2)c2ccc(C)cc2)cc(OC)c1OC
InChIInChI=1S/C25H27NO4/c1-18-10-12-21(13-11-18)26(17-19-8-6-5-7-9-19)24(27)16-20-14-22(28-2)25(30-4)23(15-20)29-3/h5-15H,16-17H2,1-4H3
InChIKeyASOXHXSXQAWHQW-UHFFFAOYSA-N
MW405.49 g/mol
LogP4.80
Rot. Bonds8

About N-benzyl-N-(4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)acetamide

N-benzyl-N-(4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 7598419) has the molecular formula C25H27NO4 and a molecular weight of 405.49 g/mol. Its IUPAC name is N-benzyl-N-(4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-benzyl-N-(4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID7598419
Molecular FormulaC25H27NO4
Molecular Weight405.49 g/mol
Exact Mass405.19
IUPAC NameN-benzyl-N-(4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(CC(=O)N(Cc2ccccc2)c2ccc(C)cc2)cc(OC)c1OC
InChIInChI=1S/C25H27NO4/c1-18-10-12-21(13-11-18)26(17-19-8-6-5-7-9-19)24(27)16-20-14-22(28-2)25(30-4)23(15-20)29-3/h5-15H,16-17H2,1-4H3
InChIKeyASOXHXSXQAWHQW-UHFFFAOYSA-N
XLogP4.80
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.49
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-(3-methylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 113095853
N-(2-aminoethyl)-N-(2-phenylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride
CID 120886021
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 100789894
N-benzyl-3,4,5-trimethoxy-N-methylbenzamide
CID 669607
N',N'-diphenyl-2-(3,4,5-trimethoxyphenyl)acetohydrazide
CID 7927150
N-[2-(N-benzylanilino)-2-oxoethyl]-2-methoxybenzamide
CID 113000349
[2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 27312565
1-N,3-N-dibenzyl-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 10144171
2-[benzyl-[2-(3-methoxy-4-methylphenyl)acetyl]amino]acetic acid
CID 119196911
3,4,5-trimethoxy-N-(4-methylphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 4261091
4-[[ethyl-[2-(3,4,5-trimethoxyphenyl)acetyl]amino]methyl]-N,N-dimethylbenzamide
CID 56512693
3-benzyl-1-[(3,4-dimethoxyphenyl)methyl]-1-(4-methylphenyl)thiourea
CID 1169929

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of N-benzyl-N-(4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)acetamide (CID 7598419) is N-benzyl-N-(4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for N-benzyl-N-(4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for N-benzyl-N-(4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)acetamide is COc1cc(CC(=O)N(Cc2ccccc2)c2ccc(C)cc2)cc(OC)c1OC.
What is the InChIKey of N-benzyl-N-(4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is ASOXHXSXQAWHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO4/c1-18-10-12-21(13-11-18)26(17-19-8-6-5-7-9-19)24(27)16-20-14-22(28-2)25(30-4)23(15-20)29-3/h5-15H,16-17H2,1-4H3.
What are the key properties of N-benzyl-N-(4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)acetamide?
N-benzyl-N-(4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 405.49 g/mol, XLogP of 4.80, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 7598419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).