4-butoxy-N-[6-(dimethylamino)-3-pyridinyl]-3-ethoxybenzamide

C20H27N3O3 — CID 30272395

IUPAC4-butoxy-N-[6-(dimethylamino)-3-pyridinyl]-3-ethoxybenzamide
SMILESCCCCOc1ccc(C(=O)Nc2ccc(N(C)C)nc2)cc1OCC
InChIInChI=1S/C20H27N3O3/c1-5-7-12-26-17-10-8-15(13-18(17)25-6-2)20(24)22-16-9-11-19(21-14-16)23(3)4/h8-11,13-14H,5-7,12H2,1-4H3,(H,22,24)
InChIKeyATLYHEIOKLKWKL-UHFFFAOYSA-N
MW357.45 g/mol
LogP3.98
Rot. Bonds9

About 4-butoxy-N-[6-(dimethylamino)-3-pyridinyl]-3-ethoxybenzamide

4-butoxy-N-[6-(dimethylamino)-3-pyridinyl]-3-ethoxybenzamide (PubChem CID 30272395) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is 4-butoxy-N-[6-(dimethylamino)-3-pyridinyl]-3-ethoxybenzamide.

Molecular Properties

Compound Name4-butoxy-N-[6-(dimethylamino)-3-pyridinyl]-3-ethoxybenzamide
PubChem CID30272395
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name4-butoxy-N-[6-(dimethylamino)-3-pyridinyl]-3-ethoxybenzamide
SMILESCCCCOc1ccc(C(=O)Nc2ccc(N(C)C)nc2)cc1OCC
InChIInChI=1S/C20H27N3O3/c1-5-7-12-26-17-10-8-15(13-18(17)25-6-2)20(24)22-16-9-11-19(21-14-16)23(3)4/h8-11,13-14H,5-7,12H2,1-4H3,(H,22,24)
InChIKeyATLYHEIOKLKWKL-UHFFFAOYSA-N
XLogP3.98
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-butoxy-3-ethoxy-N-(4-methoxyphenyl)benzamide
CID 27228846
4-butoxy-3-ethoxy-N-(4-phenylphenyl)benzamide
CID 9452358
butyl 4-[(3,4-diethoxybenzoyl)amino]benzoate
CID 100534622
N-[4-(dimethylsulfamoyl)phenyl]-3-ethoxy-4-propoxybenzamide
CID 9494456
4-chloro-N-[6-(dimethylamino)-3-pyridinyl]-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 30295727
2-[4-[(3-ethoxy-4-propoxybenzoyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120697248
4-butoxy-3-ethoxy-N-(2-ethylphenyl)benzamide
CID 8839335
N-(4-aminophenyl)-3,4-diethoxybenzamide
CID 16776636
N-[6-(dimethylamino)-3-pyridinyl]-4-phenoxybenzamide
CID 30273384
N-(2-butoxyphenyl)-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
CID 55953832
N'-(4-butoxy-3-methoxybenzoyl)-3-ethoxy-4-methoxybenzohydrazide
CID 24553442
N-[6-(dimethylamino)-3-pyridinyl]-5-ethoxy-4-methoxy-2-nitrobenzamide
CID 30295546

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[6-(dimethylamino)-3-pyridinyl]-3-ethoxybenzamide?
The IUPAC name of 4-butoxy-N-[6-(dimethylamino)-3-pyridinyl]-3-ethoxybenzamide (CID 30272395) is 4-butoxy-N-[6-(dimethylamino)-3-pyridinyl]-3-ethoxybenzamide.
What is the SMILES notation for 4-butoxy-N-[6-(dimethylamino)-3-pyridinyl]-3-ethoxybenzamide?
The canonical SMILES for 4-butoxy-N-[6-(dimethylamino)-3-pyridinyl]-3-ethoxybenzamide is CCCCOc1ccc(C(=O)Nc2ccc(N(C)C)nc2)cc1OCC.
What is the InChIKey of 4-butoxy-N-[6-(dimethylamino)-3-pyridinyl]-3-ethoxybenzamide?
The InChIKey is ATLYHEIOKLKWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-5-7-12-26-17-10-8-15(13-18(17)25-6-2)20(24)22-16-9-11-19(21-14-16)23(3)4/h8-11,13-14H,5-7,12H2,1-4H3,(H,22,24).
What are the key properties of 4-butoxy-N-[6-(dimethylamino)-3-pyridinyl]-3-ethoxybenzamide?
4-butoxy-N-[6-(dimethylamino)-3-pyridinyl]-3-ethoxybenzamide has a molecular weight of 357.45 g/mol, XLogP of 3.98, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[6-(dimethylamino)-3-pyridinyl]-3-ethoxybenzamide is sourced from PubChem (CID 30272395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).