N-ethyl-3,4-dimethoxy-N-(pyridin-4-ylmethyl)benzamide

C17H20N2O3 — CID 6470450

IUPACN-ethyl-3,4-dimethoxy-N-(pyridin-4-ylmethyl)benzamide
SMILESCCN(Cc1ccncc1)C(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C17H20N2O3/c1-4-19(12-13-7-9-18-10-8-13)17(20)14-5-6-15(21-2)16(11-14)22-3/h5-11H,4,12H2,1-3H3
InChIKeyITHAMHNJJDWORU-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.76
Rot. Bonds6

About N-ethyl-3,4-dimethoxy-N-(pyridin-4-ylmethyl)benzamide

N-ethyl-3,4-dimethoxy-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 6470450) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-ethyl-3,4-dimethoxy-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound NameN-ethyl-3,4-dimethoxy-N-(pyridin-4-ylmethyl)benzamide
PubChem CID6470450
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC NameN-ethyl-3,4-dimethoxy-N-(pyridin-4-ylmethyl)benzamide
SMILESCCN(Cc1ccncc1)C(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C17H20N2O3/c1-4-19(12-13-7-9-18-10-8-13)17(20)14-5-6-15(21-2)16(11-14)22-3/h5-11H,4,12H2,1-3H3
InChIKeyITHAMHNJJDWORU-UHFFFAOYSA-N
XLogP2.76
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-ethyl-4-methoxy-N-(pyridin-4-ylmethyl)-1-benzofuran-6-carboxamide
CID 91958146
3-(3,4-dimethoxyphenyl)-N-ethyl-N-(pyridin-4-ylmethyl)-5-(tetrazol-1-yl)benzamide
CID 26347123
3-ethoxy-N-ethyl-N-(pyridin-4-ylmethyl)benzamide
CID 6466465
4-butoxy-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-3-methoxybenzamide
CID 56512309
3-(difluoromethoxy)-N-ethyl-4-methoxy-N-[(4-methoxyphenyl)methyl]benzamide
CID 55761516
N-(3-aminopropyl)-N-ethyl-3,4-dimethoxybenzamide
CID 43319202
N-benzyl-3-bromo-N-ethyl-4-methoxybenzamide
CID 60660630
3-amino-4-bromo-N-ethyl-N-(pyridin-4-ylmethyl)benzamide
CID 61114914
N,N-dibenzyl-3-ethoxy-4-methoxybenzamide
CID 55334507
3-amino-N-ethyl-N-(pyridin-4-ylmethyl)benzamide
CID 54905832
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-4-(methylsulfonylmethyl)benzamide
CID 28546925
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-(pyridin-3-ylmethoxy)benzamide
CID 55773708

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,4-dimethoxy-N-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of N-ethyl-3,4-dimethoxy-N-(pyridin-4-ylmethyl)benzamide (CID 6470450) is N-ethyl-3,4-dimethoxy-N-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for N-ethyl-3,4-dimethoxy-N-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for N-ethyl-3,4-dimethoxy-N-(pyridin-4-ylmethyl)benzamide is CCN(Cc1ccncc1)C(=O)c1ccc(OC)c(OC)c1.
What is the InChIKey of N-ethyl-3,4-dimethoxy-N-(pyridin-4-ylmethyl)benzamide?
The InChIKey is ITHAMHNJJDWORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-4-19(12-13-7-9-18-10-8-13)17(20)14-5-6-15(21-2)16(11-14)22-3/h5-11H,4,12H2,1-3H3.
What are the key properties of N-ethyl-3,4-dimethoxy-N-(pyridin-4-ylmethyl)benzamide?
N-ethyl-3,4-dimethoxy-N-(pyridin-4-ylmethyl)benzamide has a molecular weight of 300.36 g/mol, XLogP of 2.76, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,4-dimethoxy-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 6470450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).