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

C23H30N4O4 — CID 3205142

IUPACN'-(2-methoxyphenyl)-N'-[2-(3-methylbutylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide
SMILESCOc1ccccc1N(CC(=O)NCCC(C)C)C(=O)CCC(=O)Nc1ccccn1
InChIInChI=1S/C23H30N4O4/c1-17(2)13-15-25-22(29)16-27(18-8-4-5-9-19(18)31-3)23(30)12-11-21(28)26-20-10-6-7-14-24-20/h4-10,14,17H,11-13,15-16H2,1-3H3,(H,25,29)(H,24,26,28)
InChIKeyWSCBUURTGYLZBV-UHFFFAOYSA-N
MW426.52 g/mol
LogP3.00
Rot. Bonds11

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

N'-(2-methoxyphenyl)-N'-[2-(3-methylbutylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide (PubChem CID 3205142) has the molecular formula C23H30N4O4 and a molecular weight of 426.52 g/mol. Its IUPAC name is N'-(2-methoxyphenyl)-N'-[2-(3-methylbutylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide.

Molecular Properties

Compound NameN'-(2-methoxyphenyl)-N'-[2-(3-methylbutylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide
PubChem CID3205142
Molecular FormulaC23H30N4O4
Molecular Weight426.52 g/mol
Exact Mass426.23
IUPAC NameN'-(2-methoxyphenyl)-N'-[2-(3-methylbutylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide
SMILESCOc1ccccc1N(CC(=O)NCCC(C)C)C(=O)CCC(=O)Nc1ccccn1
InChIInChI=1S/C23H30N4O4/c1-17(2)13-15-25-22(29)16-27(18-8-4-5-9-19(18)31-3)23(30)12-11-21(28)26-20-10-6-7-14-24-20/h4-10,14,17H,11-13,15-16H2,1-3H3,(H,25,29)(H,24,26,28)
InChIKeyWSCBUURTGYLZBV-UHFFFAOYSA-N
XLogP3.00
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxyphenyl)-N'-[2-(3-methylbutylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide?
The IUPAC name of N'-(2-methoxyphenyl)-N'-[2-(3-methylbutylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide (CID 3205142) is N'-(2-methoxyphenyl)-N'-[2-(3-methylbutylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide.
What is the SMILES notation for N'-(2-methoxyphenyl)-N'-[2-(3-methylbutylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide?
The canonical SMILES for N'-(2-methoxyphenyl)-N'-[2-(3-methylbutylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide is COc1ccccc1N(CC(=O)NCCC(C)C)C(=O)CCC(=O)Nc1ccccn1.
What is the InChIKey of N'-(2-methoxyphenyl)-N'-[2-(3-methylbutylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide?
The InChIKey is WSCBUURTGYLZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O4/c1-17(2)13-15-25-22(29)16-27(18-8-4-5-9-19(18)31-3)23(30)12-11-21(28)26-20-10-6-7-14-24-20/h4-10,14,17H,11-13,15-16H2,1-3H3,(H,25,29)(H,24,26,28).
What are the key properties of N'-(2-methoxyphenyl)-N'-[2-(3-methylbutylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide?
N'-(2-methoxyphenyl)-N'-[2-(3-methylbutylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide has a molecular weight of 426.52 g/mol, XLogP of 3.00, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxyphenyl)-N'-[2-(3-methylbutylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide is sourced from PubChem (CID 3205142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).