N'-[2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-N'-(2-methoxyethyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide

C25H34N4O5 — CID 3210725

IUPACN'-[2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-N'-(2-methoxyethyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide
SMILESCOCCN(C(=O)CCC(=O)Nc1cc(C)on1)C(C(=O)NC1CCCC1)c1ccc(C)cc1
InChIInChI=1S/C25H34N4O5/c1-17-8-10-19(11-9-17)24(25(32)26-20-6-4-5-7-20)29(14-15-33-3)23(31)13-12-22(30)27-21-16-18(2)34-28-21/h8-11,16,20,24H,4-7,12-15H2,1-3H3,(H,26,32)(H,27,28,30)
InChIKeyRKXNBHSMIOITCP-UHFFFAOYSA-N
MW470.57 g/mol
LogP3.29
Rot. Bonds11

About N'-[2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-N'-(2-methoxyethyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide

N'-[2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-N'-(2-methoxyethyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide (PubChem CID 3210725) has the molecular formula C25H34N4O5 and a molecular weight of 470.57 g/mol. Its IUPAC name is N'-[2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-N'-(2-methoxyethyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide.

Molecular Properties

Compound NameN'-[2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-N'-(2-methoxyethyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide
PubChem CID3210725
Molecular FormulaC25H34N4O5
Molecular Weight470.57 g/mol
Exact Mass470.25
IUPAC NameN'-[2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-N'-(2-methoxyethyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide
SMILESCOCCN(C(=O)CCC(=O)Nc1cc(C)on1)C(C(=O)NC1CCCC1)c1ccc(C)cc1
InChIInChI=1S/C25H34N4O5/c1-17-8-10-19(11-9-17)24(25(32)26-20-6-4-5-7-20)29(14-15-33-3)23(31)13-12-22(30)27-21-16-18(2)34-28-21/h8-11,16,20,24H,4-7,12-15H2,1-3H3,(H,26,32)(H,27,28,30)
InChIKeyRKXNBHSMIOITCP-UHFFFAOYSA-N
XLogP3.29
TPSA113.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-N'-(2-methoxyethyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide?
The IUPAC name of N'-[2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-N'-(2-methoxyethyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide (CID 3210725) is N'-[2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-N'-(2-methoxyethyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide.
What is the SMILES notation for N'-[2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-N'-(2-methoxyethyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide?
The canonical SMILES for N'-[2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-N'-(2-methoxyethyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide is COCCN(C(=O)CCC(=O)Nc1cc(C)on1)C(C(=O)NC1CCCC1)c1ccc(C)cc1.
What is the InChIKey of N'-[2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-N'-(2-methoxyethyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide?
The InChIKey is RKXNBHSMIOITCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O5/c1-17-8-10-19(11-9-17)24(25(32)26-20-6-4-5-7-20)29(14-15-33-3)23(31)13-12-22(30)27-21-16-18(2)34-28-21/h8-11,16,20,24H,4-7,12-15H2,1-3H3,(H,26,32)(H,27,28,30).
What are the key properties of N'-[2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-N'-(2-methoxyethyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide?
N'-[2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-N'-(2-methoxyethyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide has a molecular weight of 470.57 g/mol, XLogP of 3.29, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-N'-(2-methoxyethyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide is sourced from PubChem (CID 3210725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).