4-(cyclohexylcarbamoylamino)-N-(4-methyl-2-morpholin-4-ylpentyl)butanamide

C21H40N4O3 — CID 55547628

IUPAC4-(cyclohexylcarbamoylamino)-N-(4-methyl-2-morpholin-4-ylpentyl)butanamide
SMILESCC(C)CC(CNC(=O)CCCNC(=O)NC1CCCCC1)N1CCOCC1
InChIInChI=1S/C21H40N4O3/c1-17(2)15-19(25-11-13-28-14-12-25)16-23-20(26)9-6-10-22-21(27)24-18-7-4-3-5-8-18/h17-19H,3-16H2,1-2H3,(H,23,26)(H2,22,24,27)
InChIKeyRUOYWXRTOVAKMJ-UHFFFAOYSA-N
MW396.58 g/mol
LogP2.26
Rot. Bonds10

About 4-(cyclohexylcarbamoylamino)-N-(4-methyl-2-morpholin-4-ylpentyl)butanamide

4-(cyclohexylcarbamoylamino)-N-(4-methyl-2-morpholin-4-ylpentyl)butanamide (PubChem CID 55547628) has the molecular formula C21H40N4O3 and a molecular weight of 396.58 g/mol. Its IUPAC name is 4-(cyclohexylcarbamoylamino)-N-(4-methyl-2-morpholin-4-ylpentyl)butanamide.

Molecular Properties

Compound Name4-(cyclohexylcarbamoylamino)-N-(4-methyl-2-morpholin-4-ylpentyl)butanamide
PubChem CID55547628
Molecular FormulaC21H40N4O3
Molecular Weight396.58 g/mol
Exact Mass396.31
IUPAC Name4-(cyclohexylcarbamoylamino)-N-(4-methyl-2-morpholin-4-ylpentyl)butanamide
SMILESCC(C)CC(CNC(=O)CCCNC(=O)NC1CCCCC1)N1CCOCC1
InChIInChI=1S/C21H40N4O3/c1-17(2)15-19(25-11-13-28-14-12-25)16-23-20(26)9-6-10-22-21(27)24-18-7-4-3-5-8-18/h17-19H,3-16H2,1-2H3,(H,23,26)(H2,22,24,27)
InChIKeyRUOYWXRTOVAKMJ-UHFFFAOYSA-N
XLogP2.26
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.58
LogP ≤ 52.26
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 4-(cyclohexylcarbamoylamino)-N-(4-methyl-2-morpholin-4-ylpentyl)butanamide?
The IUPAC name of 4-(cyclohexylcarbamoylamino)-N-(4-methyl-2-morpholin-4-ylpentyl)butanamide (CID 55547628) is 4-(cyclohexylcarbamoylamino)-N-(4-methyl-2-morpholin-4-ylpentyl)butanamide.
What is the SMILES notation for 4-(cyclohexylcarbamoylamino)-N-(4-methyl-2-morpholin-4-ylpentyl)butanamide?
The canonical SMILES for 4-(cyclohexylcarbamoylamino)-N-(4-methyl-2-morpholin-4-ylpentyl)butanamide is CC(C)CC(CNC(=O)CCCNC(=O)NC1CCCCC1)N1CCOCC1.
What is the InChIKey of 4-(cyclohexylcarbamoylamino)-N-(4-methyl-2-morpholin-4-ylpentyl)butanamide?
The InChIKey is RUOYWXRTOVAKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40N4O3/c1-17(2)15-19(25-11-13-28-14-12-25)16-23-20(26)9-6-10-22-21(27)24-18-7-4-3-5-8-18/h17-19H,3-16H2,1-2H3,(H,23,26)(H2,22,24,27).
What are the key properties of 4-(cyclohexylcarbamoylamino)-N-(4-methyl-2-morpholin-4-ylpentyl)butanamide?
4-(cyclohexylcarbamoylamino)-N-(4-methyl-2-morpholin-4-ylpentyl)butanamide has a molecular weight of 396.58 g/mol, XLogP of 2.26, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylcarbamoylamino)-N-(4-methyl-2-morpholin-4-ylpentyl)butanamide is sourced from PubChem (CID 55547628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).