N'-(2-methoxyethyl)-N'-[1-(4-methoxyphenyl)-2-(3-methylbutylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide

C26H36N4O5 — CID 648402

IUPACN'-(2-methoxyethyl)-N'-[1-(4-methoxyphenyl)-2-(3-methylbutylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide
SMILESCOCCN(C(=O)CCC(=O)Nc1ccccn1)C(C(=O)NCCC(C)C)c1ccc(OC)cc1
InChIInChI=1S/C26H36N4O5/c1-19(2)14-16-28-26(33)25(20-8-10-21(35-4)11-9-20)30(17-18-34-3)24(32)13-12-23(31)29-22-7-5-6-15-27-22/h5-11,15,19,25H,12-14,16-18H2,1-4H3,(H,28,33)(H,27,29,31)
InChIKeyACKCBBOTSIKVSS-UHFFFAOYSA-N
MW484.60 g/mol
LogP3.19
Rot. Bonds14

About N'-(2-methoxyethyl)-N'-[1-(4-methoxyphenyl)-2-(3-methylbutylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide

N'-(2-methoxyethyl)-N'-[1-(4-methoxyphenyl)-2-(3-methylbutylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide (PubChem CID 648402) has the molecular formula C26H36N4O5 and a molecular weight of 484.60 g/mol. Its IUPAC name is N'-(2-methoxyethyl)-N'-[1-(4-methoxyphenyl)-2-(3-methylbutylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide.

Molecular Properties

Compound NameN'-(2-methoxyethyl)-N'-[1-(4-methoxyphenyl)-2-(3-methylbutylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide
PubChem CID648402
Molecular FormulaC26H36N4O5
Molecular Weight484.60 g/mol
Exact Mass484.27
IUPAC NameN'-(2-methoxyethyl)-N'-[1-(4-methoxyphenyl)-2-(3-methylbutylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide
SMILESCOCCN(C(=O)CCC(=O)Nc1ccccn1)C(C(=O)NCCC(C)C)c1ccc(OC)cc1
InChIInChI=1S/C26H36N4O5/c1-19(2)14-16-28-26(33)25(20-8-10-21(35-4)11-9-20)30(17-18-34-3)24(32)13-12-23(31)29-22-7-5-6-15-27-22/h5-11,15,19,25H,12-14,16-18H2,1-4H3,(H,28,33)(H,27,29,31)
InChIKeyACKCBBOTSIKVSS-UHFFFAOYSA-N
XLogP3.19
TPSA109.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.60
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxyethyl)-N'-[1-(4-methoxyphenyl)-2-(3-methylbutylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide?
The IUPAC name of N'-(2-methoxyethyl)-N'-[1-(4-methoxyphenyl)-2-(3-methylbutylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide (CID 648402) is N'-(2-methoxyethyl)-N'-[1-(4-methoxyphenyl)-2-(3-methylbutylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide.
What is the SMILES notation for N'-(2-methoxyethyl)-N'-[1-(4-methoxyphenyl)-2-(3-methylbutylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide?
The canonical SMILES for N'-(2-methoxyethyl)-N'-[1-(4-methoxyphenyl)-2-(3-methylbutylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide is COCCN(C(=O)CCC(=O)Nc1ccccn1)C(C(=O)NCCC(C)C)c1ccc(OC)cc1.
What is the InChIKey of N'-(2-methoxyethyl)-N'-[1-(4-methoxyphenyl)-2-(3-methylbutylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide?
The InChIKey is ACKCBBOTSIKVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O5/c1-19(2)14-16-28-26(33)25(20-8-10-21(35-4)11-9-20)30(17-18-34-3)24(32)13-12-23(31)29-22-7-5-6-15-27-22/h5-11,15,19,25H,12-14,16-18H2,1-4H3,(H,28,33)(H,27,29,31).
What are the key properties of N'-(2-methoxyethyl)-N'-[1-(4-methoxyphenyl)-2-(3-methylbutylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide?
N'-(2-methoxyethyl)-N'-[1-(4-methoxyphenyl)-2-(3-methylbutylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide has a molecular weight of 484.60 g/mol, XLogP of 3.19, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxyethyl)-N'-[1-(4-methoxyphenyl)-2-(3-methylbutylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide is sourced from PubChem (CID 648402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).