6-cyclohexyl-4-hydroxy-5-(4-methylpent-3-enylamino)-N-(2-methylpropyl)-2-propan-2-ylhexanamide

C25H48N2O2 — CID 67704053

IUPAC6-cyclohexyl-4-hydroxy-5-(4-methylpent-3-enylamino)-N-(2-methylpropyl)-2-propan-2-ylhexanamide
SMILESCC(C)=CCCNC(CC1CCCCC1)C(O)CC(C(=O)NCC(C)C)C(C)C
InChIInChI=1S/C25H48N2O2/c1-18(2)11-10-14-26-23(15-21-12-8-7-9-13-21)24(28)16-22(20(5)6)25(29)27-17-19(3)4/h11,19-24,26,28H,7-10,12-17H2,1-6H3,(H,27,29)
InChIKeyVUNSBWWINJZVIZ-UHFFFAOYSA-N
MW408.67 g/mol
LogP5.07
Rot. Bonds13

About 6-cyclohexyl-4-hydroxy-5-(4-methylpent-3-enylamino)-N-(2-methylpropyl)-2-propan-2-ylhexanamide

6-cyclohexyl-4-hydroxy-5-(4-methylpent-3-enylamino)-N-(2-methylpropyl)-2-propan-2-ylhexanamide (PubChem CID 67704053) has the molecular formula C25H48N2O2 and a molecular weight of 408.67 g/mol. Its IUPAC name is 6-cyclohexyl-4-hydroxy-5-(4-methylpent-3-enylamino)-N-(2-methylpropyl)-2-propan-2-ylhexanamide.

Molecular Properties

Compound Name6-cyclohexyl-4-hydroxy-5-(4-methylpent-3-enylamino)-N-(2-methylpropyl)-2-propan-2-ylhexanamide
PubChem CID67704053
Molecular FormulaC25H48N2O2
Molecular Weight408.67 g/mol
Exact Mass408.37
IUPAC Name6-cyclohexyl-4-hydroxy-5-(4-methylpent-3-enylamino)-N-(2-methylpropyl)-2-propan-2-ylhexanamide
SMILESCC(C)=CCCNC(CC1CCCCC1)C(O)CC(C(=O)NCC(C)C)C(C)C
InChIInChI=1S/C25H48N2O2/c1-18(2)11-10-14-26-23(15-21-12-8-7-9-13-21)24(28)16-22(20(5)6)25(29)27-17-19(3)4/h11,19-24,26,28H,7-10,12-17H2,1-6H3,(H,27,29)
InChIKeyVUNSBWWINJZVIZ-UHFFFAOYSA-N
XLogP5.07
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.67
LogP ≤ 55.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-4-hydroxy-5-(4-methylpent-3-enylamino)-N-(2-methylpropyl)-2-propan-2-ylhexanamide?
The IUPAC name of 6-cyclohexyl-4-hydroxy-5-(4-methylpent-3-enylamino)-N-(2-methylpropyl)-2-propan-2-ylhexanamide (CID 67704053) is 6-cyclohexyl-4-hydroxy-5-(4-methylpent-3-enylamino)-N-(2-methylpropyl)-2-propan-2-ylhexanamide.
What is the SMILES notation for 6-cyclohexyl-4-hydroxy-5-(4-methylpent-3-enylamino)-N-(2-methylpropyl)-2-propan-2-ylhexanamide?
The canonical SMILES for 6-cyclohexyl-4-hydroxy-5-(4-methylpent-3-enylamino)-N-(2-methylpropyl)-2-propan-2-ylhexanamide is CC(C)=CCCNC(CC1CCCCC1)C(O)CC(C(=O)NCC(C)C)C(C)C.
What is the InChIKey of 6-cyclohexyl-4-hydroxy-5-(4-methylpent-3-enylamino)-N-(2-methylpropyl)-2-propan-2-ylhexanamide?
The InChIKey is VUNSBWWINJZVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H48N2O2/c1-18(2)11-10-14-26-23(15-21-12-8-7-9-13-21)24(28)16-22(20(5)6)25(29)27-17-19(3)4/h11,19-24,26,28H,7-10,12-17H2,1-6H3,(H,27,29).
What are the key properties of 6-cyclohexyl-4-hydroxy-5-(4-methylpent-3-enylamino)-N-(2-methylpropyl)-2-propan-2-ylhexanamide?
6-cyclohexyl-4-hydroxy-5-(4-methylpent-3-enylamino)-N-(2-methylpropyl)-2-propan-2-ylhexanamide has a molecular weight of 408.67 g/mol, XLogP of 5.07, 13 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-4-hydroxy-5-(4-methylpent-3-enylamino)-N-(2-methylpropyl)-2-propan-2-ylhexanamide is sourced from PubChem (CID 67704053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).