N-[4-(2-methylbutylamino)-4-oxobutyl]-N'-[4-(2-methylpropanoyl)cyclohexyl]pentanediamide

C24H43N3O4 — CID 167464295

IUPACN-[4-(2-methylbutylamino)-4-oxobutyl]-N'-[4-(2-methylpropanoyl)cyclohexyl]pentanediamide
SMILESCCC(C)CNC(=O)CCCNC(=O)CCCC(=O)NC1CCC(C(=O)C(C)C)CC1
InChIInChI=1S/C24H43N3O4/c1-5-18(4)16-26-22(29)10-7-15-25-21(28)8-6-9-23(30)27-20-13-11-19(12-14-20)24(31)17(2)3/h17-20H,5-16H2,1-4H3,(H,25,28)(H,26,29)(H,27,30)
InChIKeyIZJUBNMEBQSJFK-UHFFFAOYSA-N
MW437.63 g/mol
LogP3.12
Rot. Bonds14

About N-[4-(2-methylbutylamino)-4-oxobutyl]-N'-[4-(2-methylpropanoyl)cyclohexyl]pentanediamide

N-[4-(2-methylbutylamino)-4-oxobutyl]-N'-[4-(2-methylpropanoyl)cyclohexyl]pentanediamide (PubChem CID 167464295) has the molecular formula C24H43N3O4 and a molecular weight of 437.63 g/mol. Its IUPAC name is N-[4-(2-methylbutylamino)-4-oxobutyl]-N'-[4-(2-methylpropanoyl)cyclohexyl]pentanediamide.

Molecular Properties

Compound NameN-[4-(2-methylbutylamino)-4-oxobutyl]-N'-[4-(2-methylpropanoyl)cyclohexyl]pentanediamide
PubChem CID167464295
Molecular FormulaC24H43N3O4
Molecular Weight437.63 g/mol
Exact Mass437.33
IUPAC NameN-[4-(2-methylbutylamino)-4-oxobutyl]-N'-[4-(2-methylpropanoyl)cyclohexyl]pentanediamide
SMILESCCC(C)CNC(=O)CCCNC(=O)CCCC(=O)NC1CCC(C(=O)C(C)C)CC1
InChIInChI=1S/C24H43N3O4/c1-5-18(4)16-26-22(29)10-7-15-25-21(28)8-6-9-23(30)27-20-13-11-19(12-14-20)24(31)17(2)3/h17-20H,5-16H2,1-4H3,(H,25,28)(H,26,29)(H,27,30)
InChIKeyIZJUBNMEBQSJFK-UHFFFAOYSA-N
XLogP3.12
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.63
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylbutylamino)-4-oxobutyl]-N'-[4-(2-methylpropanoyl)cyclohexyl]pentanediamide?
The IUPAC name of N-[4-(2-methylbutylamino)-4-oxobutyl]-N'-[4-(2-methylpropanoyl)cyclohexyl]pentanediamide (CID 167464295) is N-[4-(2-methylbutylamino)-4-oxobutyl]-N'-[4-(2-methylpropanoyl)cyclohexyl]pentanediamide.
What is the SMILES notation for N-[4-(2-methylbutylamino)-4-oxobutyl]-N'-[4-(2-methylpropanoyl)cyclohexyl]pentanediamide?
The canonical SMILES for N-[4-(2-methylbutylamino)-4-oxobutyl]-N'-[4-(2-methylpropanoyl)cyclohexyl]pentanediamide is CCC(C)CNC(=O)CCCNC(=O)CCCC(=O)NC1CCC(C(=O)C(C)C)CC1.
What is the InChIKey of N-[4-(2-methylbutylamino)-4-oxobutyl]-N'-[4-(2-methylpropanoyl)cyclohexyl]pentanediamide?
The InChIKey is IZJUBNMEBQSJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H43N3O4/c1-5-18(4)16-26-22(29)10-7-15-25-21(28)8-6-9-23(30)27-20-13-11-19(12-14-20)24(31)17(2)3/h17-20H,5-16H2,1-4H3,(H,25,28)(H,26,29)(H,27,30).
What are the key properties of N-[4-(2-methylbutylamino)-4-oxobutyl]-N'-[4-(2-methylpropanoyl)cyclohexyl]pentanediamide?
N-[4-(2-methylbutylamino)-4-oxobutyl]-N'-[4-(2-methylpropanoyl)cyclohexyl]pentanediamide has a molecular weight of 437.63 g/mol, XLogP of 3.12, 14 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylbutylamino)-4-oxobutyl]-N'-[4-(2-methylpropanoyl)cyclohexyl]pentanediamide is sourced from PubChem (CID 167464295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).