N'-[2-(cyclopentylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-N'-(2-methylphenyl)-N-pyridin-2-ylpentanediamide

C30H34N4O4 — CID 3197385

IUPACN'-[2-(cyclopentylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-N'-(2-methylphenyl)-N-pyridin-2-ylpentanediamide
SMILESCc1ccccc1N(C(=O)CCCC(=O)Nc1ccccn1)C(C(=O)NC1CCCC1)c1ccc(O)cc1
InChIInChI=1S/C30H34N4O4/c1-21-9-2-5-12-25(21)34(28(37)15-8-14-27(36)33-26-13-6-7-20-31-26)29(22-16-18-24(35)19-17-22)30(38)32-23-10-3-4-11-23/h2,5-7,9,12-13,16-20,23,29,35H,3-4,8,10-11,14-15H2,1H3,(H,32,38)(H,31,33,36)
InChIKeyMZJCQTKHIBNZQR-UHFFFAOYSA-N
MW514.63 g/mol
LogP5.04
Rot. Bonds10

About N'-[2-(cyclopentylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-N'-(2-methylphenyl)-N-pyridin-2-ylpentanediamide

N'-[2-(cyclopentylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-N'-(2-methylphenyl)-N-pyridin-2-ylpentanediamide (PubChem CID 3197385) has the molecular formula C30H34N4O4 and a molecular weight of 514.63 g/mol. Its IUPAC name is N'-[2-(cyclopentylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-N'-(2-methylphenyl)-N-pyridin-2-ylpentanediamide.

Molecular Properties

Compound NameN'-[2-(cyclopentylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-N'-(2-methylphenyl)-N-pyridin-2-ylpentanediamide
PubChem CID3197385
Molecular FormulaC30H34N4O4
Molecular Weight514.63 g/mol
Exact Mass514.26
IUPAC NameN'-[2-(cyclopentylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-N'-(2-methylphenyl)-N-pyridin-2-ylpentanediamide
SMILESCc1ccccc1N(C(=O)CCCC(=O)Nc1ccccn1)C(C(=O)NC1CCCC1)c1ccc(O)cc1
InChIInChI=1S/C30H34N4O4/c1-21-9-2-5-12-25(21)34(28(37)15-8-14-27(36)33-26-13-6-7-20-31-26)29(22-16-18-24(35)19-17-22)30(38)32-23-10-3-4-11-23/h2,5-7,9,12-13,16-20,23,29,35H,3-4,8,10-11,14-15H2,1H3,(H,32,38)(H,31,33,36)
InChIKeyMZJCQTKHIBNZQR-UHFFFAOYSA-N
XLogP5.04
TPSA111.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.63
LogP ≤ 55.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(cyclopentylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-N'-(2-methylphenyl)-N-pyridin-2-ylpentanediamide?
The IUPAC name of N'-[2-(cyclopentylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-N'-(2-methylphenyl)-N-pyridin-2-ylpentanediamide (CID 3197385) is N'-[2-(cyclopentylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-N'-(2-methylphenyl)-N-pyridin-2-ylpentanediamide.
What is the SMILES notation for N'-[2-(cyclopentylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-N'-(2-methylphenyl)-N-pyridin-2-ylpentanediamide?
The canonical SMILES for N'-[2-(cyclopentylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-N'-(2-methylphenyl)-N-pyridin-2-ylpentanediamide is Cc1ccccc1N(C(=O)CCCC(=O)Nc1ccccn1)C(C(=O)NC1CCCC1)c1ccc(O)cc1.
What is the InChIKey of N'-[2-(cyclopentylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-N'-(2-methylphenyl)-N-pyridin-2-ylpentanediamide?
The InChIKey is MZJCQTKHIBNZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4O4/c1-21-9-2-5-12-25(21)34(28(37)15-8-14-27(36)33-26-13-6-7-20-31-26)29(22-16-18-24(35)19-17-22)30(38)32-23-10-3-4-11-23/h2,5-7,9,12-13,16-20,23,29,35H,3-4,8,10-11,14-15H2,1H3,(H,32,38)(H,31,33,36).
What are the key properties of N'-[2-(cyclopentylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-N'-(2-methylphenyl)-N-pyridin-2-ylpentanediamide?
N'-[2-(cyclopentylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-N'-(2-methylphenyl)-N-pyridin-2-ylpentanediamide has a molecular weight of 514.63 g/mol, XLogP of 5.04, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(cyclopentylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-N'-(2-methylphenyl)-N-pyridin-2-ylpentanediamide is sourced from PubChem (CID 3197385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).