N-(2-methylpropyl)-2-[methyl(pyridin-3-ylmethyl)amino]-N-[(E)-3-phenylprop-2-enyl]acetamide

C22H29N3O — CID 131949152

IUPACN-(2-methylpropyl)-2-[methyl(pyridin-3-ylmethyl)amino]-N-[(E)-3-phenylprop-2-enyl]acetamide
SMILESCC(C)CN(C/C=C/c1ccccc1)C(=O)CN(C)Cc1cccnc1
InChIInChI=1S/C22H29N3O/c1-19(2)16-25(14-8-12-20-9-5-4-6-10-20)22(26)18-24(3)17-21-11-7-13-23-15-21/h4-13,15,19H,14,16-18H2,1-3H3/b12-8+
InChIKeyCFARPZOKEPVDIQ-XYOKQWHBSA-N
MW351.49 g/mol
LogP3.71
Rot. Bonds9

About N-(2-methylpropyl)-2-[methyl(pyridin-3-ylmethyl)amino]-N-[(E)-3-phenylprop-2-enyl]acetamide

N-(2-methylpropyl)-2-[methyl(pyridin-3-ylmethyl)amino]-N-[(E)-3-phenylprop-2-enyl]acetamide (PubChem CID 131949152) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-[methyl(pyridin-3-ylmethyl)amino]-N-[(E)-3-phenylprop-2-enyl]acetamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-[methyl(pyridin-3-ylmethyl)amino]-N-[(E)-3-phenylprop-2-enyl]acetamide
PubChem CID131949152
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC NameN-(2-methylpropyl)-2-[methyl(pyridin-3-ylmethyl)amino]-N-[(E)-3-phenylprop-2-enyl]acetamide
SMILESCC(C)CN(C/C=C/c1ccccc1)C(=O)CN(C)Cc1cccnc1
InChIInChI=1S/C22H29N3O/c1-19(2)16-25(14-8-12-20-9-5-4-6-10-20)22(26)18-24(3)17-21-11-7-13-23-15-21/h4-13,15,19H,14,16-18H2,1-3H3/b12-8+
InChIKeyCFARPZOKEPVDIQ-XYOKQWHBSA-N
XLogP3.71
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-[[methyl(pyridin-3-ylmethyl)amino]methyl]phenyl]prop-2-enoic acid
CID 76909164
N,5-dimethyl-N-(pyridin-3-ylmethyl)hexan-1-amine
CID 59176505
N-(2-cyanoethyl)-N-methyl-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
CID 43401677
4-hydroxy-5-[methyl(pyridin-3-ylmethyl)amino]pentanoic acid
CID 115122746
4-[methyl(pyridin-3-ylmethyl)amino]-3-oxobutanenitrile
CID 117038514
methyl (2S)-2-methyl-3-[methyl(pyridin-3-ylmethyl)amino]propanoate
CID 93035101
3-[(E)-3-phenylprop-2-enyl]pyridine
CID 13437688
2-[benzyl(methyl)amino]-N,N-bis(prop-2-enyl)acetamide
CID 54808897
N'-methyl-N'-(pyridin-3-ylmethyl)but-2-ene-1,4-diamine
CID 77110305
N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 110724689
2-(4-methyl-1-oxophthalazin-2-yl)-N-(2-methylpropyl)-N-[(E)-3-phenylprop-2-enyl]acetamide
CID 46983897
N-[(3-chlorophenyl)methyl]-2-[methyl(pyridin-3-ylmethyl)amino]-N-propylacetamide
CID 50952301

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-[methyl(pyridin-3-ylmethyl)amino]-N-[(E)-3-phenylprop-2-enyl]acetamide?
The IUPAC name of N-(2-methylpropyl)-2-[methyl(pyridin-3-ylmethyl)amino]-N-[(E)-3-phenylprop-2-enyl]acetamide (CID 131949152) is N-(2-methylpropyl)-2-[methyl(pyridin-3-ylmethyl)amino]-N-[(E)-3-phenylprop-2-enyl]acetamide.
What is the SMILES notation for N-(2-methylpropyl)-2-[methyl(pyridin-3-ylmethyl)amino]-N-[(E)-3-phenylprop-2-enyl]acetamide?
The canonical SMILES for N-(2-methylpropyl)-2-[methyl(pyridin-3-ylmethyl)amino]-N-[(E)-3-phenylprop-2-enyl]acetamide is CC(C)CN(C/C=C/c1ccccc1)C(=O)CN(C)Cc1cccnc1.
What is the InChIKey of N-(2-methylpropyl)-2-[methyl(pyridin-3-ylmethyl)amino]-N-[(E)-3-phenylprop-2-enyl]acetamide?
The InChIKey is CFARPZOKEPVDIQ-XYOKQWHBSA-N. The full InChI is InChI=1S/C22H29N3O/c1-19(2)16-25(14-8-12-20-9-5-4-6-10-20)22(26)18-24(3)17-21-11-7-13-23-15-21/h4-13,15,19H,14,16-18H2,1-3H3/b12-8+.
What are the key properties of N-(2-methylpropyl)-2-[methyl(pyridin-3-ylmethyl)amino]-N-[(E)-3-phenylprop-2-enyl]acetamide?
N-(2-methylpropyl)-2-[methyl(pyridin-3-ylmethyl)amino]-N-[(E)-3-phenylprop-2-enyl]acetamide has a molecular weight of 351.49 g/mol, XLogP of 3.71, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-[methyl(pyridin-3-ylmethyl)amino]-N-[(E)-3-phenylprop-2-enyl]acetamide is sourced from PubChem (CID 131949152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).