N'-(4-butoxyphenyl)-N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide

C24H32N4O5 — CID 3205208

IUPACN'-(4-butoxyphenyl)-N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide
SMILESCCCCOc1ccc(N(CC(=O)NCCOC)C(=O)CCC(=O)Nc2ccccn2)cc1
InChIInChI=1S/C24H32N4O5/c1-3-4-16-33-20-10-8-19(9-11-20)28(18-23(30)26-15-17-32-2)24(31)13-12-22(29)27-21-7-5-6-14-25-21/h5-11,14H,3-4,12-13,15-18H2,1-2H3,(H,26,30)(H,25,27,29)
InChIKeyGTFWXKLPWWNJMD-UHFFFAOYSA-N
MW456.54 g/mol
LogP2.78
Rot. Bonds14

About N'-(4-butoxyphenyl)-N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide

N'-(4-butoxyphenyl)-N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide (PubChem CID 3205208) has the molecular formula C24H32N4O5 and a molecular weight of 456.54 g/mol. Its IUPAC name is N'-(4-butoxyphenyl)-N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide.

Molecular Properties

Compound NameN'-(4-butoxyphenyl)-N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide
PubChem CID3205208
Molecular FormulaC24H32N4O5
Molecular Weight456.54 g/mol
Exact Mass456.24
IUPAC NameN'-(4-butoxyphenyl)-N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide
SMILESCCCCOc1ccc(N(CC(=O)NCCOC)C(=O)CCC(=O)Nc2ccccn2)cc1
InChIInChI=1S/C24H32N4O5/c1-3-4-16-33-20-10-8-19(9-11-20)28(18-23(30)26-15-17-32-2)24(31)13-12-22(29)27-21-7-5-6-14-25-21/h5-11,14H,3-4,12-13,15-18H2,1-2H3,(H,26,30)(H,25,27,29)
InChIKeyGTFWXKLPWWNJMD-UHFFFAOYSA-N
XLogP2.78
TPSA109.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.54
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(4-butoxyphenyl)-N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide?
The IUPAC name of N'-(4-butoxyphenyl)-N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide (CID 3205208) is N'-(4-butoxyphenyl)-N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide.
What is the SMILES notation for N'-(4-butoxyphenyl)-N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide?
The canonical SMILES for N'-(4-butoxyphenyl)-N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide is CCCCOc1ccc(N(CC(=O)NCCOC)C(=O)CCC(=O)Nc2ccccn2)cc1.
What is the InChIKey of N'-(4-butoxyphenyl)-N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide?
The InChIKey is GTFWXKLPWWNJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O5/c1-3-4-16-33-20-10-8-19(9-11-20)28(18-23(30)26-15-17-32-2)24(31)13-12-22(29)27-21-7-5-6-14-25-21/h5-11,14H,3-4,12-13,15-18H2,1-2H3,(H,26,30)(H,25,27,29).
What are the key properties of N'-(4-butoxyphenyl)-N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide?
N'-(4-butoxyphenyl)-N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide has a molecular weight of 456.54 g/mol, XLogP of 2.78, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-butoxyphenyl)-N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide is sourced from PubChem (CID 3205208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).