3-butyl-4-(3,4-dimethoxyphenyl)-N-(4-pyridin-3-ylbutyl)benzamide

C28H34N2O3 — CID 14570110

IUPAC3-butyl-4-(3,4-dimethoxyphenyl)-N-(4-pyridin-3-ylbutyl)benzamide
SMILESCCCCc1cc(C(=O)NCCCCc2cccnc2)ccc1-c1ccc(OC)c(OC)c1
InChIInChI=1S/C28H34N2O3/c1-4-5-11-22-18-24(28(31)30-17-7-6-9-21-10-8-16-29-20-21)12-14-25(22)23-13-15-26(32-2)27(19-23)33-3/h8,10,12-16,18-20H,4-7,9,11,17H2,1-3H3,(H,30,31)
InChIKeyLOFIGYHGTRQLGU-UHFFFAOYSA-N
MW446.59 g/mol
LogP5.86
Rot. Bonds12

About 3-butyl-4-(3,4-dimethoxyphenyl)-N-(4-pyridin-3-ylbutyl)benzamide

3-butyl-4-(3,4-dimethoxyphenyl)-N-(4-pyridin-3-ylbutyl)benzamide (PubChem CID 14570110) has the molecular formula C28H34N2O3 and a molecular weight of 446.59 g/mol. Its IUPAC name is 3-butyl-4-(3,4-dimethoxyphenyl)-N-(4-pyridin-3-ylbutyl)benzamide.

Molecular Properties

Compound Name3-butyl-4-(3,4-dimethoxyphenyl)-N-(4-pyridin-3-ylbutyl)benzamide
PubChem CID14570110
Molecular FormulaC28H34N2O3
Molecular Weight446.59 g/mol
Exact Mass446.26
IUPAC Name3-butyl-4-(3,4-dimethoxyphenyl)-N-(4-pyridin-3-ylbutyl)benzamide
SMILESCCCCc1cc(C(=O)NCCCCc2cccnc2)ccc1-c1ccc(OC)c(OC)c1
InChIInChI=1S/C28H34N2O3/c1-4-5-11-22-18-24(28(31)30-17-7-6-9-21-10-8-16-29-20-21)12-14-25(22)23-13-15-26(32-2)27(19-23)33-3/h8,10,12-16,18-20H,4-7,9,11,17H2,1-3H3,(H,30,31)
InChIKeyLOFIGYHGTRQLGU-UHFFFAOYSA-N
XLogP5.86
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.59
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(3,4-dimethoxyphenyl)-3-ethyl-N-(4-pyridin-3-ylbutyl)benzamide
CID 19858010
3-bromo-4-methoxy-N-(3-pyridin-3-ylpropyl)benzamide
CID 110607078
N-(4-pyridin-3-ylbutyl)pyridine-3-carboxamide
CID 110661295
3,4-dimethoxy-N-octadecylbenzamide
CID 20530777
4-amino-3-methoxy-N-(2-pyridin-3-ylethyl)benzamide
CID 104782485
methyl N-(4-pyridin-3-ylbutyl)carbamate
CID 110661300
2,2-bis(3,4-dimethoxyphenyl)-N-(4-pyridin-3-ylbutyl)cyclopropane-1-carboxamide
CID 23051246
N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide;hydrochloride
CID 110755852
N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]pyridine-3-carboxamide
CID 39023791
6-(2-methoxypyrimidin-5-yl)-N-(2-pyridin-3-ylethyl)naphthalene-2-carboxamide
CID 172656290
N-[3-(3,4-dimethoxyphenyl)propyl]-3,4-dimethoxybenzamide
CID 14118389
3,4-dimethoxy-N-[3-(2-methoxyphenyl)propyl]benzamide
CID 99995361

Frequently Asked Questions

What is the IUPAC name of 3-butyl-4-(3,4-dimethoxyphenyl)-N-(4-pyridin-3-ylbutyl)benzamide?
The IUPAC name of 3-butyl-4-(3,4-dimethoxyphenyl)-N-(4-pyridin-3-ylbutyl)benzamide (CID 14570110) is 3-butyl-4-(3,4-dimethoxyphenyl)-N-(4-pyridin-3-ylbutyl)benzamide.
What is the SMILES notation for 3-butyl-4-(3,4-dimethoxyphenyl)-N-(4-pyridin-3-ylbutyl)benzamide?
The canonical SMILES for 3-butyl-4-(3,4-dimethoxyphenyl)-N-(4-pyridin-3-ylbutyl)benzamide is CCCCc1cc(C(=O)NCCCCc2cccnc2)ccc1-c1ccc(OC)c(OC)c1.
What is the InChIKey of 3-butyl-4-(3,4-dimethoxyphenyl)-N-(4-pyridin-3-ylbutyl)benzamide?
The InChIKey is LOFIGYHGTRQLGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O3/c1-4-5-11-22-18-24(28(31)30-17-7-6-9-21-10-8-16-29-20-21)12-14-25(22)23-13-15-26(32-2)27(19-23)33-3/h8,10,12-16,18-20H,4-7,9,11,17H2,1-3H3,(H,30,31).
What are the key properties of 3-butyl-4-(3,4-dimethoxyphenyl)-N-(4-pyridin-3-ylbutyl)benzamide?
3-butyl-4-(3,4-dimethoxyphenyl)-N-(4-pyridin-3-ylbutyl)benzamide has a molecular weight of 446.59 g/mol, XLogP of 5.86, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-4-(3,4-dimethoxyphenyl)-N-(4-pyridin-3-ylbutyl)benzamide is sourced from PubChem (CID 14570110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).