N'-(2-ethoxyphenyl)-N'-[2-(3-methylbutylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide

C24H32N4O4 — CID 3205143

IUPACN'-(2-ethoxyphenyl)-N'-[2-(3-methylbutylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide
SMILESCCOc1ccccc1N(CC(=O)NCCC(C)C)C(=O)CCC(=O)Nc1ccccn1
InChIInChI=1S/C24H32N4O4/c1-4-32-20-10-6-5-9-19(20)28(17-23(30)26-16-14-18(2)3)24(31)13-12-22(29)27-21-11-7-8-15-25-21/h5-11,15,18H,4,12-14,16-17H2,1-3H3,(H,26,30)(H,25,27,29)
InChIKeyCBQSOIBBQSNYPA-UHFFFAOYSA-N
MW440.54 g/mol
LogP3.39
Rot. Bonds12

About N'-(2-ethoxyphenyl)-N'-[2-(3-methylbutylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide

N'-(2-ethoxyphenyl)-N'-[2-(3-methylbutylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide (PubChem CID 3205143) has the molecular formula C24H32N4O4 and a molecular weight of 440.54 g/mol. Its IUPAC name is N'-(2-ethoxyphenyl)-N'-[2-(3-methylbutylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide.

Molecular Properties

Compound NameN'-(2-ethoxyphenyl)-N'-[2-(3-methylbutylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide
PubChem CID3205143
Molecular FormulaC24H32N4O4
Molecular Weight440.54 g/mol
Exact Mass440.24
IUPAC NameN'-(2-ethoxyphenyl)-N'-[2-(3-methylbutylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide
SMILESCCOc1ccccc1N(CC(=O)NCCC(C)C)C(=O)CCC(=O)Nc1ccccn1
InChIInChI=1S/C24H32N4O4/c1-4-32-20-10-6-5-9-19(20)28(17-23(30)26-16-14-18(2)3)24(31)13-12-22(29)27-21-11-7-8-15-25-21/h5-11,15,18H,4,12-14,16-17H2,1-3H3,(H,26,30)(H,25,27,29)
InChIKeyCBQSOIBBQSNYPA-UHFFFAOYSA-N
XLogP3.39
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-(2-ethoxyphenyl)-N'-[2-(3-methylbutylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide?
The IUPAC name of N'-(2-ethoxyphenyl)-N'-[2-(3-methylbutylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide (CID 3205143) is N'-(2-ethoxyphenyl)-N'-[2-(3-methylbutylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide.
What is the SMILES notation for N'-(2-ethoxyphenyl)-N'-[2-(3-methylbutylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide?
The canonical SMILES for N'-(2-ethoxyphenyl)-N'-[2-(3-methylbutylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide is CCOc1ccccc1N(CC(=O)NCCC(C)C)C(=O)CCC(=O)Nc1ccccn1.
What is the InChIKey of N'-(2-ethoxyphenyl)-N'-[2-(3-methylbutylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide?
The InChIKey is CBQSOIBBQSNYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O4/c1-4-32-20-10-6-5-9-19(20)28(17-23(30)26-16-14-18(2)3)24(31)13-12-22(29)27-21-11-7-8-15-25-21/h5-11,15,18H,4,12-14,16-17H2,1-3H3,(H,26,30)(H,25,27,29).
What are the key properties of N'-(2-ethoxyphenyl)-N'-[2-(3-methylbutylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide?
N'-(2-ethoxyphenyl)-N'-[2-(3-methylbutylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide has a molecular weight of 440.54 g/mol, XLogP of 3.39, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-ethoxyphenyl)-N'-[2-(3-methylbutylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide is sourced from PubChem (CID 3205143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).