N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2-(3-methoxy-4-methylphenyl)acetamide

C26H30N2O2 — CID 55549362

IUPACN-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2-(3-methoxy-4-methylphenyl)acetamide
SMILESCOc1cc(CC(=O)NCc2ccccc2-c2ccc(CN(C)C)cc2)ccc1C
InChIInChI=1S/C26H30N2O2/c1-19-9-10-21(15-25(19)30-4)16-26(29)27-17-23-7-5-6-8-24(23)22-13-11-20(12-14-22)18-28(2)3/h5-15H,16-18H2,1-4H3,(H,27,29)
InChIKeySDVOONYLQUFZBW-UHFFFAOYSA-N
MW402.54 g/mol
LogP4.59
Rot. Bonds8

About N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2-(3-methoxy-4-methylphenyl)acetamide

N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2-(3-methoxy-4-methylphenyl)acetamide (PubChem CID 55549362) has the molecular formula C26H30N2O2 and a molecular weight of 402.54 g/mol. Its IUPAC name is N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2-(3-methoxy-4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2-(3-methoxy-4-methylphenyl)acetamide
PubChem CID55549362
Molecular FormulaC26H30N2O2
Molecular Weight402.54 g/mol
Exact Mass402.23
IUPAC NameN-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2-(3-methoxy-4-methylphenyl)acetamide
SMILESCOc1cc(CC(=O)NCc2ccccc2-c2ccc(CN(C)C)cc2)ccc1C
InChIInChI=1S/C26H30N2O2/c1-19-9-10-21(15-25(19)30-4)16-26(29)27-17-23-7-5-6-8-24(23)22-13-11-20(12-14-22)18-28(2)3/h5-15H,16-18H2,1-4H3,(H,27,29)
InChIKeySDVOONYLQUFZBW-UHFFFAOYSA-N
XLogP4.59
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methylamino]-3-oxopropyl]-2-methoxybenzamide
CID 38260333
N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2-methoxybenzamide
CID 24661049
N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-1-(3-fluoro-4-methoxyphenyl)methanamine
CID 78870842
N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]pyridine-2-carboxamide
CID 47021287
2-cyclopent-2-en-1-yl-N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]acetamide
CID 75691770
2-(3-methoxy-4-methylphenyl)-N-(2-phenylphenyl)acetamide
CID 17476881
N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 24661105
N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide
CID 24661038
N-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-(2-methoxyphenyl)acetamide
CID 110780829
N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 55549176
2-chloro-N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-5-methylsulfanylbenzamide
CID 24661064
2-(3,4-dimethylphenyl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 8911158

Frequently Asked Questions

What is the IUPAC name of N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2-(3-methoxy-4-methylphenyl)acetamide?
The IUPAC name of N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2-(3-methoxy-4-methylphenyl)acetamide (CID 55549362) is N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2-(3-methoxy-4-methylphenyl)acetamide.
What is the SMILES notation for N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2-(3-methoxy-4-methylphenyl)acetamide?
The canonical SMILES for N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2-(3-methoxy-4-methylphenyl)acetamide is COc1cc(CC(=O)NCc2ccccc2-c2ccc(CN(C)C)cc2)ccc1C.
What is the InChIKey of N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2-(3-methoxy-4-methylphenyl)acetamide?
The InChIKey is SDVOONYLQUFZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O2/c1-19-9-10-21(15-25(19)30-4)16-26(29)27-17-23-7-5-6-8-24(23)22-13-11-20(12-14-22)18-28(2)3/h5-15H,16-18H2,1-4H3,(H,27,29).
What are the key properties of N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2-(3-methoxy-4-methylphenyl)acetamide?
N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2-(3-methoxy-4-methylphenyl)acetamide has a molecular weight of 402.54 g/mol, XLogP of 4.59, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2-(3-methoxy-4-methylphenyl)acetamide is sourced from PubChem (CID 55549362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).