N-(2-ethoxy-3-pyridinyl)-3-methoxy-4-phenylmethoxybenzamide

C22H22N2O4 — CID 34876331

IUPACN-(2-ethoxy-3-pyridinyl)-3-methoxy-4-phenylmethoxybenzamide
SMILESCCOc1ncccc1NC(=O)c1ccc(OCc2ccccc2)c(OC)c1
InChIInChI=1S/C22H22N2O4/c1-3-27-22-18(10-7-13-23-22)24-21(25)17-11-12-19(20(14-17)26-2)28-15-16-8-5-4-6-9-16/h4-14H,3,15H2,1-2H3,(H,24,25)
InChIKeyPOKSPXSNRWYZDJ-UHFFFAOYSA-N
MW378.43 g/mol
LogP4.32
Rot. Bonds8

About N-(2-ethoxy-3-pyridinyl)-3-methoxy-4-phenylmethoxybenzamide

N-(2-ethoxy-3-pyridinyl)-3-methoxy-4-phenylmethoxybenzamide (PubChem CID 34876331) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-(2-ethoxy-3-pyridinyl)-3-methoxy-4-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-(2-ethoxy-3-pyridinyl)-3-methoxy-4-phenylmethoxybenzamide
PubChem CID34876331
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC NameN-(2-ethoxy-3-pyridinyl)-3-methoxy-4-phenylmethoxybenzamide
SMILESCCOc1ncccc1NC(=O)c1ccc(OCc2ccccc2)c(OC)c1
InChIInChI=1S/C22H22N2O4/c1-3-27-22-18(10-7-13-23-22)24-21(25)17-11-12-19(20(14-17)26-2)28-15-16-8-5-4-6-9-16/h4-14H,3,15H2,1-2H3,(H,24,25)
InChIKeyPOKSPXSNRWYZDJ-UHFFFAOYSA-N
XLogP4.32
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethoxy-N-(2-methoxyphenyl)-4-phenylmethoxybenzamide
CID 126087524
N-(2-bromophenyl)-3-methoxy-4-phenylmethoxybenzamide
CID 1288452
3-methoxy-N-phenyl-4-phenylmethoxybenzamide
CID 5161412
N'-(4-ethoxybenzoyl)-3-methoxy-4-phenylmethoxybenzohydrazide
CID 9492724
3,4-diethoxy-N-(2-methoxyphenyl)benzamide
CID 669527
N-(4-benzoylphenyl)-3-methoxy-4-phenylmethoxybenzamide
CID 139779423
3-ethoxy-N-(2-phenylphenyl)-4-(pyridin-3-ylmethoxy)benzamide
CID 39676638
4-ethoxy-N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-3-methoxybenzohydrazide
CID 30837646
4-ethoxy-3-methoxy-N-(2-phenoxyphenyl)benzamide
CID 24583790
N-(1,3-benzodioxol-4-yl)-3-methoxy-4-phenylmethoxybenzamide
CID 75453681
N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-3,4-dimethoxybenzohydrazide
CID 55576480
4-[(4-chlorophenyl)methoxy]-3-methoxy-N-pyridin-2-ylbenzamide
CID 43016736

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-3-pyridinyl)-3-methoxy-4-phenylmethoxybenzamide?
The IUPAC name of N-(2-ethoxy-3-pyridinyl)-3-methoxy-4-phenylmethoxybenzamide (CID 34876331) is N-(2-ethoxy-3-pyridinyl)-3-methoxy-4-phenylmethoxybenzamide.
What is the SMILES notation for N-(2-ethoxy-3-pyridinyl)-3-methoxy-4-phenylmethoxybenzamide?
The canonical SMILES for N-(2-ethoxy-3-pyridinyl)-3-methoxy-4-phenylmethoxybenzamide is CCOc1ncccc1NC(=O)c1ccc(OCc2ccccc2)c(OC)c1.
What is the InChIKey of N-(2-ethoxy-3-pyridinyl)-3-methoxy-4-phenylmethoxybenzamide?
The InChIKey is POKSPXSNRWYZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-3-27-22-18(10-7-13-23-22)24-21(25)17-11-12-19(20(14-17)26-2)28-15-16-8-5-4-6-9-16/h4-14H,3,15H2,1-2H3,(H,24,25).
What are the key properties of N-(2-ethoxy-3-pyridinyl)-3-methoxy-4-phenylmethoxybenzamide?
N-(2-ethoxy-3-pyridinyl)-3-methoxy-4-phenylmethoxybenzamide has a molecular weight of 378.43 g/mol, XLogP of 4.32, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-3-pyridinyl)-3-methoxy-4-phenylmethoxybenzamide is sourced from PubChem (CID 34876331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).