N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

C24H30N4O — CID 38262519

IUPACN-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1CC(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1
InChIInChI=1S/C24H30N4O/c1-17-23(18(2)28(5)26-17)14-24(29)25-15-21-8-6-7-9-22(21)20-12-10-19(11-13-20)16-27(3)4/h6-13H,14-16H2,1-5H3,(H,25,29)
InChIKeyRLBSVFQVDKELOY-UHFFFAOYSA-N
MW390.53 g/mol
LogP3.62
Rot. Bonds7

About N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 38262519) has the molecular formula C24H30N4O and a molecular weight of 390.53 g/mol. Its IUPAC name is N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID38262519
Molecular FormulaC24H30N4O
Molecular Weight390.53 g/mol
Exact Mass390.24
IUPAC NameN-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1CC(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1
InChIInChI=1S/C24H30N4O/c1-17-23(18(2)28(5)26-17)14-24(29)25-15-21-8-6-7-9-22(21)20-12-10-19(11-13-20)16-27(3)4/h6-13H,14-16H2,1-5H3,(H,25,29)
InChIKeyRLBSVFQVDKELOY-UHFFFAOYSA-N
XLogP3.62
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-(3-methoxy-4-methylphenyl)acetamide
CID 55549362
N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide
CID 24661080
N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 55618608
N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2-methoxybenzamide
CID 24661049
2-cyclopent-2-en-1-yl-N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]acetamide
CID 75691770
1-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-3-(3-pyrazol-1-ylpropyl)urea
CID 55747194
N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide
CID 55824300
N-[3-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methylamino]-3-oxopropyl]-2-methoxybenzamide
CID 38260333
N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 55549176
1-[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 119114943
N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 18129721

Frequently Asked Questions

What is the IUPAC name of N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 38262519) is N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1nn(C)c(C)c1CC(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1.
What is the InChIKey of N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is RLBSVFQVDKELOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O/c1-17-23(18(2)28(5)26-17)14-24(29)25-15-21-8-6-7-9-22(21)20-12-10-19(11-13-20)16-27(3)4/h6-13H,14-16H2,1-5H3,(H,25,29).
What are the key properties of N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 390.53 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 38262519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).