N,N'-bis[(1R)-1-(1-hydroxycyclohexyl)-2-methylpropyl]propanediamide

C23H42N2O4 — CID 69010101

IUPACN,N'-bis[(1R)-1-(1-hydroxycyclohexyl)-2-methylpropyl]propanediamide
SMILESCC(C)[C@@H](NC(=O)CC(=O)N[C@H](C(C)C)C1(O)CCCCC1)C1(O)CCCCC1
InChIInChI=1S/C23H42N2O4/c1-16(2)20(22(28)11-7-5-8-12-22)24-18(26)15-19(27)25-21(17(3)4)23(29)13-9-6-10-14-23/h16-17,20-21,28-29H,5-15H2,1-4H3,(H,24,26)(H,25,27)/t20-,21-/m1/s1
InChIKeyYBOPMOXMPJGGHH-NHCUHLMSSA-N
MW410.60 g/mol
LogP3.05
Rot. Bonds8

About N,N'-bis[(1R)-1-(1-hydroxycyclohexyl)-2-methylpropyl]propanediamide

N,N'-bis[(1R)-1-(1-hydroxycyclohexyl)-2-methylpropyl]propanediamide (PubChem CID 69010101) has the molecular formula C23H42N2O4 and a molecular weight of 410.60 g/mol. Its IUPAC name is N,N'-bis[(1R)-1-(1-hydroxycyclohexyl)-2-methylpropyl]propanediamide.

Molecular Properties

Compound NameN,N'-bis[(1R)-1-(1-hydroxycyclohexyl)-2-methylpropyl]propanediamide
PubChem CID69010101
Molecular FormulaC23H42N2O4
Molecular Weight410.60 g/mol
Exact Mass410.31
IUPAC NameN,N'-bis[(1R)-1-(1-hydroxycyclohexyl)-2-methylpropyl]propanediamide
SMILESCC(C)[C@@H](NC(=O)CC(=O)N[C@H](C(C)C)C1(O)CCCCC1)C1(O)CCCCC1
InChIInChI=1S/C23H42N2O4/c1-16(2)20(22(28)11-7-5-8-12-22)24-18(26)15-19(27)25-21(17(3)4)23(29)13-9-6-10-14-23/h16-17,20-21,28-29H,5-15H2,1-4H3,(H,24,26)(H,25,27)/t20-,21-/m1/s1
InChIKeyYBOPMOXMPJGGHH-NHCUHLMSSA-N
XLogP3.05
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.60
LogP ≤ 53.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(1R)-1-(1-hydroxycyclohexyl)-2-methylpropyl]propanediamide?
The IUPAC name of N,N'-bis[(1R)-1-(1-hydroxycyclohexyl)-2-methylpropyl]propanediamide (CID 69010101) is N,N'-bis[(1R)-1-(1-hydroxycyclohexyl)-2-methylpropyl]propanediamide.
What is the SMILES notation for N,N'-bis[(1R)-1-(1-hydroxycyclohexyl)-2-methylpropyl]propanediamide?
The canonical SMILES for N,N'-bis[(1R)-1-(1-hydroxycyclohexyl)-2-methylpropyl]propanediamide is CC(C)[C@@H](NC(=O)CC(=O)N[C@H](C(C)C)C1(O)CCCCC1)C1(O)CCCCC1.
What is the InChIKey of N,N'-bis[(1R)-1-(1-hydroxycyclohexyl)-2-methylpropyl]propanediamide?
The InChIKey is YBOPMOXMPJGGHH-NHCUHLMSSA-N. The full InChI is InChI=1S/C23H42N2O4/c1-16(2)20(22(28)11-7-5-8-12-22)24-18(26)15-19(27)25-21(17(3)4)23(29)13-9-6-10-14-23/h16-17,20-21,28-29H,5-15H2,1-4H3,(H,24,26)(H,25,27)/t20-,21-/m1/s1.
What are the key properties of N,N'-bis[(1R)-1-(1-hydroxycyclohexyl)-2-methylpropyl]propanediamide?
N,N'-bis[(1R)-1-(1-hydroxycyclohexyl)-2-methylpropyl]propanediamide has a molecular weight of 410.60 g/mol, XLogP of 3.05, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(1R)-1-(1-hydroxycyclohexyl)-2-methylpropyl]propanediamide is sourced from PubChem (CID 69010101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).