2-(N-benzyl-3-methylanilino)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide

C26H30N2O4 — CID 18145118

IUPAC2-(N-benzyl-3-methylanilino)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
SMILESCOc1cc(OC)c(OC)cc1CNC(=O)CN(Cc1ccccc1)c1cccc(C)c1
InChIInChI=1S/C26H30N2O4/c1-19-9-8-12-22(13-19)28(17-20-10-6-5-7-11-20)18-26(29)27-16-21-14-24(31-3)25(32-4)15-23(21)30-2/h5-15H,16-18H2,1-4H3,(H,27,29)
InChIKeySWDLOLAJXKLVDT-UHFFFAOYSA-N
MW434.54 g/mol
LogP4.34
Rot. Bonds10

About 2-(N-benzyl-3-methylanilino)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide

2-(N-benzyl-3-methylanilino)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide (PubChem CID 18145118) has the molecular formula C26H30N2O4 and a molecular weight of 434.54 g/mol. Its IUPAC name is 2-(N-benzyl-3-methylanilino)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(N-benzyl-3-methylanilino)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
PubChem CID18145118
Molecular FormulaC26H30N2O4
Molecular Weight434.54 g/mol
Exact Mass434.22
IUPAC Name2-(N-benzyl-3-methylanilino)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
SMILESCOc1cc(OC)c(OC)cc1CNC(=O)CN(Cc1ccccc1)c1cccc(C)c1
InChIInChI=1S/C26H30N2O4/c1-19-9-8-12-22(13-19)28(17-20-10-6-5-7-11-20)18-26(29)27-16-21-14-24(31-3)25(32-4)15-23(21)30-2/h5-15H,16-18H2,1-4H3,(H,27,29)
InChIKeySWDLOLAJXKLVDT-UHFFFAOYSA-N
XLogP4.34
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(N-benzyl-3-methylanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 18230288
2-(N-ethyl-3-methylanilino)-N-[(2-methoxyphenyl)methyl]acetamide
CID 108998497
2-(N-benzyl-3-methylanilino)-N-(2-propoxyphenyl)acetamide
CID 18291286
2-(3-methoxyphenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 18116287
N-[(5-fluoro-2-methoxyphenyl)methyl]-2-(3-methylphenyl)acetamide
CID 110780202
2-[3-methyl-N-[(3-methylphenyl)methyl]anilino]acetic acid
CID 39368218
2-[N-(benzenesulfonyl)-3-methylanilino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 26565937
2-(dipropylamino)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 34600439
N-[(2-methoxyphenyl)methyl]-2-(N-(3-methylphenyl)sulfonylanilino)acetamide
CID 26564448
2-anilino-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide;hydrochloride
CID 119690630
3-(4-methylphenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide
CID 18121489
methyl 2-[4,5-dimethoxy-2-[[(2-phenylacetyl)amino]methyl]phenyl]acetate
CID 67148501

Frequently Asked Questions

What is the IUPAC name of 2-(N-benzyl-3-methylanilino)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(N-benzyl-3-methylanilino)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide (CID 18145118) is 2-(N-benzyl-3-methylanilino)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(N-benzyl-3-methylanilino)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(N-benzyl-3-methylanilino)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide is COc1cc(OC)c(OC)cc1CNC(=O)CN(Cc1ccccc1)c1cccc(C)c1.
What is the InChIKey of 2-(N-benzyl-3-methylanilino)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide?
The InChIKey is SWDLOLAJXKLVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O4/c1-19-9-8-12-22(13-19)28(17-20-10-6-5-7-11-20)18-26(29)27-16-21-14-24(31-3)25(32-4)15-23(21)30-2/h5-15H,16-18H2,1-4H3,(H,27,29).
What are the key properties of 2-(N-benzyl-3-methylanilino)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide?
2-(N-benzyl-3-methylanilino)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide has a molecular weight of 434.54 g/mol, XLogP of 4.34, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-benzyl-3-methylanilino)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 18145118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).