3-butoxy-N-[(4-methoxyphenyl)methyl]-N-pyridin-2-ylbenzamide

C24H26N2O3 — CID 35181360

IUPAC3-butoxy-N-[(4-methoxyphenyl)methyl]-N-pyridin-2-ylbenzamide
SMILESCCCCOc1cccc(C(=O)N(Cc2ccc(OC)cc2)c2ccccn2)c1
InChIInChI=1S/C24H26N2O3/c1-3-4-16-29-22-9-7-8-20(17-22)24(27)26(23-10-5-6-15-25-23)18-19-11-13-21(28-2)14-12-19/h5-15,17H,3-4,16,18H2,1-2H3
InChIKeyQWYZPNVCKRRWFP-UHFFFAOYSA-N
MW390.48 g/mol
LogP5.12
Rot. Bonds9

About 3-butoxy-N-[(4-methoxyphenyl)methyl]-N-pyridin-2-ylbenzamide

3-butoxy-N-[(4-methoxyphenyl)methyl]-N-pyridin-2-ylbenzamide (PubChem CID 35181360) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is 3-butoxy-N-[(4-methoxyphenyl)methyl]-N-pyridin-2-ylbenzamide.

Molecular Properties

Compound Name3-butoxy-N-[(4-methoxyphenyl)methyl]-N-pyridin-2-ylbenzamide
PubChem CID35181360
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Name3-butoxy-N-[(4-methoxyphenyl)methyl]-N-pyridin-2-ylbenzamide
SMILESCCCCOc1cccc(C(=O)N(Cc2ccc(OC)cc2)c2ccccn2)c1
InChIInChI=1S/C24H26N2O3/c1-3-4-16-29-22-9-7-8-20(17-22)24(27)26(23-10-5-6-15-25-23)18-19-11-13-21(28-2)14-12-19/h5-15,17H,3-4,16,18H2,1-2H3
InChIKeyQWYZPNVCKRRWFP-UHFFFAOYSA-N
XLogP5.12
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.48
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-ethoxy-N-[(4-ethylphenyl)methyl]-N-pyridin-2-ylbenzamide
CID 17012477
N-[[4-(dimethylamino)phenyl]methyl]-4-methoxy-N-pyridin-2-ylbenzamide
CID 35573662
3-butoxy-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 41056401
N-(2-hydroxyphenyl)-3-methoxy-N-(pyridin-2-ylmethyl)benzamide
CID 108755925
1-N,3-N-dibenzyl-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 10144171
(4-methoxyphenyl) 3-butoxybenzoate
CID 23012333
N-benzyl-3-butoxy-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
CID 43989919
N-[(4-chlorophenyl)methyl]-N-pyridin-2-ylbenzamide
CID 13304853
3-ethoxy-N-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)benzamide
CID 108732529
3-butoxy-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 43987656
N-benzyl-3-nitro-N-pyridin-2-ylbenzamide
CID 799327
3-butoxy-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 41319363

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-N-[(4-methoxyphenyl)methyl]-N-pyridin-2-ylbenzamide?
The IUPAC name of 3-butoxy-N-[(4-methoxyphenyl)methyl]-N-pyridin-2-ylbenzamide (CID 35181360) is 3-butoxy-N-[(4-methoxyphenyl)methyl]-N-pyridin-2-ylbenzamide.
What is the SMILES notation for 3-butoxy-N-[(4-methoxyphenyl)methyl]-N-pyridin-2-ylbenzamide?
The canonical SMILES for 3-butoxy-N-[(4-methoxyphenyl)methyl]-N-pyridin-2-ylbenzamide is CCCCOc1cccc(C(=O)N(Cc2ccc(OC)cc2)c2ccccn2)c1.
What is the InChIKey of 3-butoxy-N-[(4-methoxyphenyl)methyl]-N-pyridin-2-ylbenzamide?
The InChIKey is QWYZPNVCKRRWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-3-4-16-29-22-9-7-8-20(17-22)24(27)26(23-10-5-6-15-25-23)18-19-11-13-21(28-2)14-12-19/h5-15,17H,3-4,16,18H2,1-2H3.
What are the key properties of 3-butoxy-N-[(4-methoxyphenyl)methyl]-N-pyridin-2-ylbenzamide?
3-butoxy-N-[(4-methoxyphenyl)methyl]-N-pyridin-2-ylbenzamide has a molecular weight of 390.48 g/mol, XLogP of 5.12, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-N-[(4-methoxyphenyl)methyl]-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 35181360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).