N,N'-bis[(1R)-1-(1-hydroxycyclohexyl)-2-phenylethyl]-2,2-dimethylpropanediamide

C33H46N2O4 — CID 69006898

IUPACN,N'-bis[(1R)-1-(1-hydroxycyclohexyl)-2-phenylethyl]-2,2-dimethylpropanediamide
SMILESCC(C)(C(=O)N[C@H](Cc1ccccc1)C1(O)CCCCC1)C(=O)N[C@H](Cc1ccccc1)C1(O)CCCCC1
InChIInChI=1S/C33H46N2O4/c1-31(2,29(36)34-27(23-25-15-7-3-8-16-25)32(38)19-11-5-12-20-32)30(37)35-28(24-26-17-9-4-10-18-26)33(39)21-13-6-14-22-33/h3-4,7-10,15-18,27-28,38-39H,5-6,11-14,19-24H2,1-2H3,(H,34,36)(H,35,37)/t27-,28-/m1/s1
InChIKeyLPCICDBAVMHSTC-VSGBNLITSA-N
MW534.74 g/mol
LogP4.86
Rot. Bonds10

About N,N'-bis[(1R)-1-(1-hydroxycyclohexyl)-2-phenylethyl]-2,2-dimethylpropanediamide

N,N'-bis[(1R)-1-(1-hydroxycyclohexyl)-2-phenylethyl]-2,2-dimethylpropanediamide (PubChem CID 69006898) has the molecular formula C33H46N2O4 and a molecular weight of 534.74 g/mol. Its IUPAC name is N,N'-bis[(1R)-1-(1-hydroxycyclohexyl)-2-phenylethyl]-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN,N'-bis[(1R)-1-(1-hydroxycyclohexyl)-2-phenylethyl]-2,2-dimethylpropanediamide
PubChem CID69006898
Molecular FormulaC33H46N2O4
Molecular Weight534.74 g/mol
Exact Mass534.35
IUPAC NameN,N'-bis[(1R)-1-(1-hydroxycyclohexyl)-2-phenylethyl]-2,2-dimethylpropanediamide
SMILESCC(C)(C(=O)N[C@H](Cc1ccccc1)C1(O)CCCCC1)C(=O)N[C@H](Cc1ccccc1)C1(O)CCCCC1
InChIInChI=1S/C33H46N2O4/c1-31(2,29(36)34-27(23-25-15-7-3-8-16-25)32(38)19-11-5-12-20-32)30(37)35-28(24-26-17-9-4-10-18-26)33(39)21-13-6-14-22-33/h3-4,7-10,15-18,27-28,38-39H,5-6,11-14,19-24H2,1-2H3,(H,34,36)(H,35,37)/t27-,28-/m1/s1
InChIKeyLPCICDBAVMHSTC-VSGBNLITSA-N
XLogP4.86
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.74
LogP ≤ 54.86
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-phenylethyl]-2,2-dimethylpropanediamide?
The IUPAC name of N,N'-bis[(1R)-1-(1-hydroxycyclohexyl)-2-phenylethyl]-2,2-dimethylpropanediamide (CID 69006898) is N,N'-bis[(1R)-1-(1-hydroxycyclohexyl)-2-phenylethyl]-2,2-dimethylpropanediamide.
What is the SMILES notation for N,N'-bis[(1R)-1-(1-hydroxycyclohexyl)-2-phenylethyl]-2,2-dimethylpropanediamide?
The canonical SMILES for N,N'-bis[(1R)-1-(1-hydroxycyclohexyl)-2-phenylethyl]-2,2-dimethylpropanediamide is CC(C)(C(=O)N[C@H](Cc1ccccc1)C1(O)CCCCC1)C(=O)N[C@H](Cc1ccccc1)C1(O)CCCCC1.
What is the InChIKey of N,N'-bis[(1R)-1-(1-hydroxycyclohexyl)-2-phenylethyl]-2,2-dimethylpropanediamide?
The InChIKey is LPCICDBAVMHSTC-VSGBNLITSA-N. The full InChI is InChI=1S/C33H46N2O4/c1-31(2,29(36)34-27(23-25-15-7-3-8-16-25)32(38)19-11-5-12-20-32)30(37)35-28(24-26-17-9-4-10-18-26)33(39)21-13-6-14-22-33/h3-4,7-10,15-18,27-28,38-39H,5-6,11-14,19-24H2,1-2H3,(H,34,36)(H,35,37)/t27-,28-/m1/s1.
What are the key properties of N,N'-bis[(1R)-1-(1-hydroxycyclohexyl)-2-phenylethyl]-2,2-dimethylpropanediamide?
N,N'-bis[(1R)-1-(1-hydroxycyclohexyl)-2-phenylethyl]-2,2-dimethylpropanediamide has a molecular weight of 534.74 g/mol, XLogP of 4.86, 10 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-phenylethyl]-2,2-dimethylpropanediamide is sourced from PubChem (CID 69006898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).