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

C26H30N2O3 — CID 19858010

IUPAC4-(3,4-dimethoxyphenyl)-3-ethyl-N-(4-pyridin-3-ylbutyl)benzamide
SMILESCCc1cc(C(=O)NCCCCc2cccnc2)ccc1-c1ccc(OC)c(OC)c1
InChIInChI=1S/C26H30N2O3/c1-4-20-16-22(26(29)28-15-6-5-8-19-9-7-14-27-18-19)10-12-23(20)21-11-13-24(30-2)25(17-21)31-3/h7,9-14,16-18H,4-6,8,15H2,1-3H3,(H,28,29)
InChIKeyIURVNXMWLVUMPC-UHFFFAOYSA-N
MW418.54 g/mol
LogP5.08
Rot. Bonds10

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

4-(3,4-dimethoxyphenyl)-3-ethyl-N-(4-pyridin-3-ylbutyl)benzamide (PubChem CID 19858010) has the molecular formula C26H30N2O3 and a molecular weight of 418.54 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-3-ethyl-N-(4-pyridin-3-ylbutyl)benzamide.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-3-ethyl-N-(4-pyridin-3-ylbutyl)benzamide
PubChem CID19858010
Molecular FormulaC26H30N2O3
Molecular Weight418.54 g/mol
Exact Mass418.23
IUPAC Name4-(3,4-dimethoxyphenyl)-3-ethyl-N-(4-pyridin-3-ylbutyl)benzamide
SMILESCCc1cc(C(=O)NCCCCc2cccnc2)ccc1-c1ccc(OC)c(OC)c1
InChIInChI=1S/C26H30N2O3/c1-4-20-16-22(26(29)28-15-6-5-8-19-9-7-14-27-18-19)10-12-23(20)21-11-13-24(30-2)25(17-21)31-3/h7,9-14,16-18H,4-6,8,15H2,1-3H3,(H,28,29)
InChIKeyIURVNXMWLVUMPC-UHFFFAOYSA-N
XLogP5.08
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.54
LogP ≤ 55.08
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

3-butyl-4-(3,4-dimethoxyphenyl)-N-(4-pyridin-3-ylbutyl)benzamide
CID 14570110
3-bromo-4-methoxy-N-(3-pyridin-3-ylpropyl)benzamide
CID 110607078
4-amino-3-methoxy-N-(2-pyridin-3-ylethyl)benzamide
CID 104782485
N-(4-pyridin-3-ylbutyl)pyridine-3-carboxamide
CID 110661295
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-octadecylbenzamide
CID 20530777
N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-3,4-dimethoxybenzohydrazide
CID 55576480

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-3-ethyl-N-(4-pyridin-3-ylbutyl)benzamide?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-3-ethyl-N-(4-pyridin-3-ylbutyl)benzamide (CID 19858010) is 4-(3,4-dimethoxyphenyl)-3-ethyl-N-(4-pyridin-3-ylbutyl)benzamide.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-3-ethyl-N-(4-pyridin-3-ylbutyl)benzamide?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-3-ethyl-N-(4-pyridin-3-ylbutyl)benzamide is CCc1cc(C(=O)NCCCCc2cccnc2)ccc1-c1ccc(OC)c(OC)c1.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-3-ethyl-N-(4-pyridin-3-ylbutyl)benzamide?
The InChIKey is IURVNXMWLVUMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O3/c1-4-20-16-22(26(29)28-15-6-5-8-19-9-7-14-27-18-19)10-12-23(20)21-11-13-24(30-2)25(17-21)31-3/h7,9-14,16-18H,4-6,8,15H2,1-3H3,(H,28,29).
What are the key properties of 4-(3,4-dimethoxyphenyl)-3-ethyl-N-(4-pyridin-3-ylbutyl)benzamide?
4-(3,4-dimethoxyphenyl)-3-ethyl-N-(4-pyridin-3-ylbutyl)benzamide has a molecular weight of 418.54 g/mol, XLogP of 5.08, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-3-ethyl-N-(4-pyridin-3-ylbutyl)benzamide is sourced from PubChem (CID 19858010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).