4-(acetamidomethyl)-N-[(2-ethoxy-3-pyridinyl)methyl]benzamide

C18H21N3O3 — CID 37487511

IUPAC4-(acetamidomethyl)-N-[(2-ethoxy-3-pyridinyl)methyl]benzamide
SMILESCCOc1ncccc1CNC(=O)c1ccc(CNC(C)=O)cc1
InChIInChI=1S/C18H21N3O3/c1-3-24-18-16(5-4-10-19-18)12-21-17(23)15-8-6-14(7-9-15)11-20-13(2)22/h4-10H,3,11-12H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyCXWCRKQYPWVFGY-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.05
Rot. Bonds7

About 4-(acetamidomethyl)-N-[(2-ethoxy-3-pyridinyl)methyl]benzamide

4-(acetamidomethyl)-N-[(2-ethoxy-3-pyridinyl)methyl]benzamide (PubChem CID 37487511) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 4-(acetamidomethyl)-N-[(2-ethoxy-3-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name4-(acetamidomethyl)-N-[(2-ethoxy-3-pyridinyl)methyl]benzamide
PubChem CID37487511
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name4-(acetamidomethyl)-N-[(2-ethoxy-3-pyridinyl)methyl]benzamide
SMILESCCOc1ncccc1CNC(=O)c1ccc(CNC(C)=O)cc1
InChIInChI=1S/C18H21N3O3/c1-3-24-18-16(5-4-10-19-18)12-21-17(23)15-8-6-14(7-9-15)11-20-13(2)22/h4-10H,3,11-12H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyCXWCRKQYPWVFGY-UHFFFAOYSA-N
XLogP2.05
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-ethoxy-3-pyridinyl)methyl]-1-oxidopyridin-1-ium-4-carboxamide
CID 38537886
3,4,5-triethoxy-N-[(2-ethoxy-3-pyridinyl)methyl]benzamide
CID 30832504
1-[(2-ethoxy-3-pyridinyl)methyl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 134006403
N-[(2-methoxy-3-pyridinyl)methyl]-4-(methylsulfanylmethyl)benzamide
CID 38533494
4-(acetamidomethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 18107584
N-[(2-ethoxy-3-pyridinyl)methyl]-3-methylbut-2-enamide
CID 37488136
N-[(2-ethoxy-3-pyridinyl)methyl]-1-ethylbenzotriazole-5-carboxamide
CID 30832500
3-(4-tert-butylphenyl)-N-[(2-ethoxy-3-pyridinyl)methyl]propanamide
CID 37487440
4-ethoxy-N-[[4-[[(4-ethoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 3528873
N-[(2-ethoxy-3-pyridinyl)methyl]-2-ethylpyrazole-3-carboxamide
CID 53184912
3,6-dichloro-N-[(2-ethoxy-3-pyridinyl)methyl]pyridine-2-carboxamide
CID 38539806
4-(acetamidomethyl)-N-ethylbenzamide
CID 20648409

Frequently Asked Questions

What is the IUPAC name of 4-(acetamidomethyl)-N-[(2-ethoxy-3-pyridinyl)methyl]benzamide?
The IUPAC name of 4-(acetamidomethyl)-N-[(2-ethoxy-3-pyridinyl)methyl]benzamide (CID 37487511) is 4-(acetamidomethyl)-N-[(2-ethoxy-3-pyridinyl)methyl]benzamide.
What is the SMILES notation for 4-(acetamidomethyl)-N-[(2-ethoxy-3-pyridinyl)methyl]benzamide?
The canonical SMILES for 4-(acetamidomethyl)-N-[(2-ethoxy-3-pyridinyl)methyl]benzamide is CCOc1ncccc1CNC(=O)c1ccc(CNC(C)=O)cc1.
What is the InChIKey of 4-(acetamidomethyl)-N-[(2-ethoxy-3-pyridinyl)methyl]benzamide?
The InChIKey is CXWCRKQYPWVFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-3-24-18-16(5-4-10-19-18)12-21-17(23)15-8-6-14(7-9-15)11-20-13(2)22/h4-10H,3,11-12H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 4-(acetamidomethyl)-N-[(2-ethoxy-3-pyridinyl)methyl]benzamide?
4-(acetamidomethyl)-N-[(2-ethoxy-3-pyridinyl)methyl]benzamide has a molecular weight of 327.38 g/mol, XLogP of 2.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(acetamidomethyl)-N-[(2-ethoxy-3-pyridinyl)methyl]benzamide is sourced from PubChem (CID 37487511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).