N-[(2-methoxyphenyl)methyl]-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide

C19H25N3O2 — CID 109021958

IUPACN-[(2-methoxyphenyl)methyl]-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide
SMILESCOc1ccccc1CNC(=O)CCN(C)CCc1ccncc1
InChIInChI=1S/C19H25N3O2/c1-22(13-9-16-7-11-20-12-8-16)14-10-19(23)21-15-17-5-3-4-6-18(17)24-2/h3-8,11-12H,9-10,13-15H2,1-2H3,(H,21,23)
InChIKeyBSOMAFPAXCLDPC-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.27
Rot. Bonds9

About N-[(2-methoxyphenyl)methyl]-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide

N-[(2-methoxyphenyl)methyl]-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide (PubChem CID 109021958) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide
PubChem CID109021958
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC NameN-[(2-methoxyphenyl)methyl]-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide
SMILESCOc1ccccc1CNC(=O)CCN(C)CCc1ccncc1
InChIInChI=1S/C19H25N3O2/c1-22(13-9-16-7-11-20-12-8-16)14-10-19(23)21-15-17-5-3-4-6-18(17)24-2/h3-8,11-12H,9-10,13-15H2,1-2H3,(H,21,23)
InChIKeyBSOMAFPAXCLDPC-UHFFFAOYSA-N
XLogP2.27
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methoxyphenyl)methyl]-3-pyridin-4-ylpropanamide
CID 110468458
3-[butyl(methyl)amino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 109021987
2-N-[(2-methoxyphenyl)methyl]-1-N-methyl-1-N-(2-pyridin-4-ylethyl)cyclopropane-1,2-dicarboxamide
CID 109136414
N-(3,4-dimethoxyphenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide
CID 109026232
N-[(2-methoxyphenyl)methyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110329998
2-[(2-methoxyphenyl)methylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109306143
N-[(2-methoxyphenyl)methyl]-3-[methyl-(1-methylpiperidin-4-yl)amino]propanamide
CID 110838955
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-phenylpropanoate
CID 7958312
3-[acetyl(butan-2-yl)amino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 113116141
3-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 113138110
3-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-propan-2-yloxyphenyl)propanamide
CID 109026228
N-[2-(2-methoxyphenyl)ethyl]-N',2,2-trimethyl-N'-(2-pyridin-4-ylethyl)propanediamide
CID 108964258

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide (CID 109021958) is N-[(2-methoxyphenyl)methyl]-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide is COc1ccccc1CNC(=O)CCN(C)CCc1ccncc1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide?
The InChIKey is BSOMAFPAXCLDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-22(13-9-16-7-11-20-12-8-16)14-10-19(23)21-15-17-5-3-4-6-18(17)24-2/h3-8,11-12H,9-10,13-15H2,1-2H3,(H,21,23).
What are the key properties of N-[(2-methoxyphenyl)methyl]-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide?
N-[(2-methoxyphenyl)methyl]-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide has a molecular weight of 327.43 g/mol, XLogP of 2.27, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide is sourced from PubChem (CID 109021958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).