N'-[2-(tert-butylamino)-2-oxoethyl]-N'-(2-methoxyphenyl)-N-pyridin-2-ylbutanediamide

C22H28N4O4 — CID 3205035

IUPACN'-[2-(tert-butylamino)-2-oxoethyl]-N'-(2-methoxyphenyl)-N-pyridin-2-ylbutanediamide
SMILESCOc1ccccc1N(CC(=O)NC(C)(C)C)C(=O)CCC(=O)Nc1ccccn1
InChIInChI=1S/C22H28N4O4/c1-22(2,3)25-20(28)15-26(16-9-5-6-10-17(16)30-4)21(29)13-12-19(27)24-18-11-7-8-14-23-18/h5-11,14H,12-13,15H2,1-4H3,(H,25,28)(H,23,24,27)
InChIKeyDZSAESHGIUPKKZ-UHFFFAOYSA-N
MW412.49 g/mol
LogP2.76
Rot. Bonds8

About N'-[2-(tert-butylamino)-2-oxoethyl]-N'-(2-methoxyphenyl)-N-pyridin-2-ylbutanediamide

N'-[2-(tert-butylamino)-2-oxoethyl]-N'-(2-methoxyphenyl)-N-pyridin-2-ylbutanediamide (PubChem CID 3205035) has the molecular formula C22H28N4O4 and a molecular weight of 412.49 g/mol. Its IUPAC name is N'-[2-(tert-butylamino)-2-oxoethyl]-N'-(2-methoxyphenyl)-N-pyridin-2-ylbutanediamide.

Molecular Properties

Compound NameN'-[2-(tert-butylamino)-2-oxoethyl]-N'-(2-methoxyphenyl)-N-pyridin-2-ylbutanediamide
PubChem CID3205035
Molecular FormulaC22H28N4O4
Molecular Weight412.49 g/mol
Exact Mass412.21
IUPAC NameN'-[2-(tert-butylamino)-2-oxoethyl]-N'-(2-methoxyphenyl)-N-pyridin-2-ylbutanediamide
SMILESCOc1ccccc1N(CC(=O)NC(C)(C)C)C(=O)CCC(=O)Nc1ccccn1
InChIInChI=1S/C22H28N4O4/c1-22(2,3)25-20(28)15-26(16-9-5-6-10-17(16)30-4)21(29)13-12-19(27)24-18-11-7-8-14-23-18/h5-11,14H,12-13,15H2,1-4H3,(H,25,28)(H,23,24,27)
InChIKeyDZSAESHGIUPKKZ-UHFFFAOYSA-N
XLogP2.76
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(tert-butylamino)-2-oxoethyl]-N'-(2-methoxyphenyl)-N-pyridin-2-ylbutanediamide?
The IUPAC name of N'-[2-(tert-butylamino)-2-oxoethyl]-N'-(2-methoxyphenyl)-N-pyridin-2-ylbutanediamide (CID 3205035) is N'-[2-(tert-butylamino)-2-oxoethyl]-N'-(2-methoxyphenyl)-N-pyridin-2-ylbutanediamide.
What is the SMILES notation for N'-[2-(tert-butylamino)-2-oxoethyl]-N'-(2-methoxyphenyl)-N-pyridin-2-ylbutanediamide?
The canonical SMILES for N'-[2-(tert-butylamino)-2-oxoethyl]-N'-(2-methoxyphenyl)-N-pyridin-2-ylbutanediamide is COc1ccccc1N(CC(=O)NC(C)(C)C)C(=O)CCC(=O)Nc1ccccn1.
What is the InChIKey of N'-[2-(tert-butylamino)-2-oxoethyl]-N'-(2-methoxyphenyl)-N-pyridin-2-ylbutanediamide?
The InChIKey is DZSAESHGIUPKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O4/c1-22(2,3)25-20(28)15-26(16-9-5-6-10-17(16)30-4)21(29)13-12-19(27)24-18-11-7-8-14-23-18/h5-11,14H,12-13,15H2,1-4H3,(H,25,28)(H,23,24,27).
What are the key properties of N'-[2-(tert-butylamino)-2-oxoethyl]-N'-(2-methoxyphenyl)-N-pyridin-2-ylbutanediamide?
N'-[2-(tert-butylamino)-2-oxoethyl]-N'-(2-methoxyphenyl)-N-pyridin-2-ylbutanediamide has a molecular weight of 412.49 g/mol, XLogP of 2.76, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(tert-butylamino)-2-oxoethyl]-N'-(2-methoxyphenyl)-N-pyridin-2-ylbutanediamide is sourced from PubChem (CID 3205035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).