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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[3-[[4-(2-methylpropanoyl)cyclohexyl]amino]-3-oxopropoxy]ethyl]butanamide
CID 169159425
3-[2-[(2-methoxyacetyl)amino]ethoxy]-N-[4-(2-methylpropanoyl)cyclohexyl]propanamide
CID 178082713
N-butyl-N'-[[4-(2-methylpropanoyl)cyclohexyl]methyl]pentanediamide
CID 178126271
N-cyclopropyl-4-[3-(propan-2-ylamino)propanoylamino]butanamide
CID 79401446
3-ethoxy-N-[2-[3-[[4-(2-methylpropanoyl)cyclohexyl]amino]-3-oxopropoxy]ethyl]propanamide;molecular hydrogen
CID 169159088
N-cyclopropyl-4-[3-(2-methylpropylsulfonyl)propanoylamino]butanamide
CID 78902587
4-[[4-(cyclopropylamino)-4-oxobutyl]carbamoylamino]-3-methylbutanoic acid
CID 81070939
N-[4-(cyclopropylamino)-4-oxobutyl]cyclopropanecarboxamide
CID 84505349
(2R)-2-amino-N-[4-(cyclopropylamino)-4-oxobutyl]butanamide
CID 79401766
N-[4-(cyclopropylamino)-4-oxobutyl]-2-methyl-3-(methylamino)propanamide
CID 79400697
1-cyclohexyl-2-methylpropan-1-one;N-methyl-N'-(3-methylpentyl)pentanediamide;molecular hydrogen
CID 177358052
N-cyclopropyl-4-(2-sulfanylpropanoylamino)butanamide
CID 107032147

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).