N'-[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N'-(2-methoxyethyl)-N-pyridin-2-ylpentanediamide

C28H38N4O4 — CID 653797

IUPACN'-[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N'-(2-methoxyethyl)-N-pyridin-2-ylpentanediamide
SMILESCOCCN(C(=O)CCCC(=O)Nc1ccccn1)C(C(=O)NC1CCCCC1)c1ccc(C)cc1
InChIInChI=1S/C28H38N4O4/c1-21-14-16-22(17-15-21)27(28(35)30-23-9-4-3-5-10-23)32(19-20-36-2)26(34)13-8-12-25(33)31-24-11-6-7-18-29-24/h6-7,11,14-18,23,27H,3-5,8-10,12-13,19-20H2,1-2H3,(H,30,35)(H,29,31,33)
InChIKeyMLYSZFKYFZAMJG-UHFFFAOYSA-N
MW494.64 g/mol
LogP4.16
Rot. Bonds12

About N'-[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N'-(2-methoxyethyl)-N-pyridin-2-ylpentanediamide

N'-[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N'-(2-methoxyethyl)-N-pyridin-2-ylpentanediamide (PubChem CID 653797) has the molecular formula C28H38N4O4 and a molecular weight of 494.64 g/mol. Its IUPAC name is N'-[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N'-(2-methoxyethyl)-N-pyridin-2-ylpentanediamide.

Molecular Properties

Compound NameN'-[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N'-(2-methoxyethyl)-N-pyridin-2-ylpentanediamide
PubChem CID653797
Molecular FormulaC28H38N4O4
Molecular Weight494.64 g/mol
Exact Mass494.29
IUPAC NameN'-[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N'-(2-methoxyethyl)-N-pyridin-2-ylpentanediamide
SMILESCOCCN(C(=O)CCCC(=O)Nc1ccccn1)C(C(=O)NC1CCCCC1)c1ccc(C)cc1
InChIInChI=1S/C28H38N4O4/c1-21-14-16-22(17-15-21)27(28(35)30-23-9-4-3-5-10-23)32(19-20-36-2)26(34)13-8-12-25(33)31-24-11-6-7-18-29-24/h6-7,11,14-18,23,27H,3-5,8-10,12-13,19-20H2,1-2H3,(H,30,35)(H,29,31,33)
InChIKeyMLYSZFKYFZAMJG-UHFFFAOYSA-N
XLogP4.16
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.64
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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3-Biphenyl-4-yl-3-{2-[5-(pyridin-2-ylamino)-pentanoylamino]-acetylamino}-propionic acid
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2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-(5-phenyl-2-pyridinyl)acetamide
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CID 124660563
CID 124660563
(2S)-1-[(2R)-2-amino-3,3-dicyclohexylpropanoyl]-N-[(6-amino-3-pyridinyl)methyl]pyrrolidine-2-carboxamide
CID 9868633
(3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)-1-[(1R)-1-[6-(dimethylamino)-3-pyridinyl]-2-morpholin-4-yl-2-oxoethyl]-6-(2-methylpropyl)piperazine-2,5-dione
CID 56950039
(2S)-N-[(2S)-1-[(6-amino-3-pyridinyl)methylamino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[(2S)-5-(diaminomethylideneamino)-2-[[2-[4-[(diaminomethylideneamino)methyl]phenyl]acetyl]amino]pentanoyl]amino]-3,3-dimethylbutanamide
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CID 16278323
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Frequently Asked Questions

What is the IUPAC name of N'-[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N'-(2-methoxyethyl)-N-pyridin-2-ylpentanediamide?
The IUPAC name of N'-[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N'-(2-methoxyethyl)-N-pyridin-2-ylpentanediamide (CID 653797) is N'-[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N'-(2-methoxyethyl)-N-pyridin-2-ylpentanediamide.
What is the SMILES notation for N'-[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N'-(2-methoxyethyl)-N-pyridin-2-ylpentanediamide?
The canonical SMILES for N'-[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N'-(2-methoxyethyl)-N-pyridin-2-ylpentanediamide is COCCN(C(=O)CCCC(=O)Nc1ccccn1)C(C(=O)NC1CCCCC1)c1ccc(C)cc1.
What is the InChIKey of N'-[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N'-(2-methoxyethyl)-N-pyridin-2-ylpentanediamide?
The InChIKey is MLYSZFKYFZAMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N4O4/c1-21-14-16-22(17-15-21)27(28(35)30-23-9-4-3-5-10-23)32(19-20-36-2)26(34)13-8-12-25(33)31-24-11-6-7-18-29-24/h6-7,11,14-18,23,27H,3-5,8-10,12-13,19-20H2,1-2H3,(H,30,35)(H,29,31,33).
What are the key properties of N'-[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N'-(2-methoxyethyl)-N-pyridin-2-ylpentanediamide?
N'-[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N'-(2-methoxyethyl)-N-pyridin-2-ylpentanediamide has a molecular weight of 494.64 g/mol, XLogP of 4.16, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N'-(2-methoxyethyl)-N-pyridin-2-ylpentanediamide is sourced from PubChem (CID 653797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).