N,N'-bis[(1R)-1-(1-hydroxycyclobutyl)-2,2-dimethylpropyl]propanediamide

C21H38N2O4 — CID 69007042

IUPACN,N'-bis[(1R)-1-(1-hydroxycyclobutyl)-2,2-dimethylpropyl]propanediamide
SMILESCC(C)(C)[C@@H](NC(=O)CC(=O)N[C@H](C(C)(C)C)C1(O)CCC1)C1(O)CCC1
InChIInChI=1S/C21H38N2O4/c1-18(2,3)16(20(26)9-7-10-20)22-14(24)13-15(25)23-17(19(4,5)6)21(27)11-8-12-21/h16-17,26-27H,7-13H2,1-6H3,(H,22,24)(H,23,25)/t16-,17-/m1/s1
InChIKeyMQWLSUMLZIDTSJ-IAGOWNOFSA-N
MW382.55 g/mol
LogP2.27
Rot. Bonds6

About N,N'-bis[(1R)-1-(1-hydroxycyclobutyl)-2,2-dimethylpropyl]propanediamide

N,N'-bis[(1R)-1-(1-hydroxycyclobutyl)-2,2-dimethylpropyl]propanediamide (PubChem CID 69007042) has the molecular formula C21H38N2O4 and a molecular weight of 382.55 g/mol. Its IUPAC name is N,N'-bis[(1R)-1-(1-hydroxycyclobutyl)-2,2-dimethylpropyl]propanediamide.

Molecular Properties

Compound NameN,N'-bis[(1R)-1-(1-hydroxycyclobutyl)-2,2-dimethylpropyl]propanediamide
PubChem CID69007042
Molecular FormulaC21H38N2O4
Molecular Weight382.55 g/mol
Exact Mass382.28
IUPAC NameN,N'-bis[(1R)-1-(1-hydroxycyclobutyl)-2,2-dimethylpropyl]propanediamide
SMILESCC(C)(C)[C@@H](NC(=O)CC(=O)N[C@H](C(C)(C)C)C1(O)CCC1)C1(O)CCC1
InChIInChI=1S/C21H38N2O4/c1-18(2,3)16(20(26)9-7-10-20)22-14(24)13-15(25)23-17(19(4,5)6)21(27)11-8-12-21/h16-17,26-27H,7-13H2,1-6H3,(H,22,24)(H,23,25)/t16-,17-/m1/s1
InChIKeyMQWLSUMLZIDTSJ-IAGOWNOFSA-N
XLogP2.27
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.55
LogP ≤ 52.27
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-hydroxycyclobutyl)-2,2-dimethylpropyl]propanediamide?
The IUPAC name of N,N'-bis[(1R)-1-(1-hydroxycyclobutyl)-2,2-dimethylpropyl]propanediamide (CID 69007042) is N,N'-bis[(1R)-1-(1-hydroxycyclobutyl)-2,2-dimethylpropyl]propanediamide.
What is the SMILES notation for N,N'-bis[(1R)-1-(1-hydroxycyclobutyl)-2,2-dimethylpropyl]propanediamide?
The canonical SMILES for N,N'-bis[(1R)-1-(1-hydroxycyclobutyl)-2,2-dimethylpropyl]propanediamide is CC(C)(C)[C@@H](NC(=O)CC(=O)N[C@H](C(C)(C)C)C1(O)CCC1)C1(O)CCC1.
What is the InChIKey of N,N'-bis[(1R)-1-(1-hydroxycyclobutyl)-2,2-dimethylpropyl]propanediamide?
The InChIKey is MQWLSUMLZIDTSJ-IAGOWNOFSA-N. The full InChI is InChI=1S/C21H38N2O4/c1-18(2,3)16(20(26)9-7-10-20)22-14(24)13-15(25)23-17(19(4,5)6)21(27)11-8-12-21/h16-17,26-27H,7-13H2,1-6H3,(H,22,24)(H,23,25)/t16-,17-/m1/s1.
What are the key properties of N,N'-bis[(1R)-1-(1-hydroxycyclobutyl)-2,2-dimethylpropyl]propanediamide?
N,N'-bis[(1R)-1-(1-hydroxycyclobutyl)-2,2-dimethylpropyl]propanediamide has a molecular weight of 382.55 g/mol, XLogP of 2.27, 6 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-hydroxycyclobutyl)-2,2-dimethylpropyl]propanediamide is sourced from PubChem (CID 69007042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).