N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-3-propoxybenzamide

C23H24N2O4 — CID 55778341

IUPACN-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)Nc2ccc(OC)c(OCc3ccncc3)c2)c1
InChIInChI=1S/C23H24N2O4/c1-3-13-28-20-6-4-5-18(14-20)23(26)25-19-7-8-21(27-2)22(15-19)29-16-17-9-11-24-12-10-17/h4-12,14-15H,3,13,16H2,1-2H3,(H,25,26)
InChIKeyPNNWTKLMHJXPGE-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.71
Rot. Bonds9

About N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-3-propoxybenzamide

N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-3-propoxybenzamide (PubChem CID 55778341) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-3-propoxybenzamide.

Molecular Properties

Compound NameN-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-3-propoxybenzamide
PubChem CID55778341
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC NameN-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)Nc2ccc(OC)c(OCc3ccncc3)c2)c1
InChIInChI=1S/C23H24N2O4/c1-3-13-28-20-6-4-5-18(14-20)23(26)25-19-7-8-21(27-2)22(15-19)29-16-17-9-11-24-12-10-17/h4-12,14-15H,3,13,16H2,1-2H3,(H,25,26)
InChIKeyPNNWTKLMHJXPGE-UHFFFAOYSA-N
XLogP4.71
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(dimethylamino)-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]benzamide
CID 46427160
N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-3-(trifluoromethyl)benzamide
CID 33128215
N-(3-chloro-4-methoxyphenyl)-3-propoxybenzamide
CID 4960108
4-acetamido-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]benzamide
CID 43068273
3,5-dichloro-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]benzamide
CID 46427791
3,5-dichloro-4-methoxy-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]benzamide
CID 46448262
3,4-diethoxy-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]benzamide
CID 46426672
1-[(3-butoxybenzoyl)amino]-3-(3,4-dimethoxyphenyl)urea
CID 2955101
N-(3-fluoro-4-methoxyphenyl)-3-(pyridin-3-ylmethoxy)benzamide
CID 55796689
N-(3-amino-4-methoxyphenyl)-3-butoxybenzamide
CID 50878655
N-[3-[(3,4-dipropoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 55630389
3-propoxy-N-[4-[[4-[(3-propoxybenzoyl)amino]phenyl]methyl]phenyl]benzamide
CID 4960561

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-3-propoxybenzamide?
The IUPAC name of N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-3-propoxybenzamide (CID 55778341) is N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-3-propoxybenzamide.
What is the SMILES notation for N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-3-propoxybenzamide?
The canonical SMILES for N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-3-propoxybenzamide is CCCOc1cccc(C(=O)Nc2ccc(OC)c(OCc3ccncc3)c2)c1.
What is the InChIKey of N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-3-propoxybenzamide?
The InChIKey is PNNWTKLMHJXPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-3-13-28-20-6-4-5-18(14-20)23(26)25-19-7-8-21(27-2)22(15-19)29-16-17-9-11-24-12-10-17/h4-12,14-15H,3,13,16H2,1-2H3,(H,25,26).
What are the key properties of N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-3-propoxybenzamide?
N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-3-propoxybenzamide has a molecular weight of 392.46 g/mol, XLogP of 4.71, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-3-propoxybenzamide is sourced from PubChem (CID 55778341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).