N,N'-bis[1-(1-hydroxycyclobutyl)ethyl]-2,2-dimethylpropanediamide

C17H30N2O4 — CID 23140960

IUPACN,N'-bis[1-(1-hydroxycyclobutyl)ethyl]-2,2-dimethylpropanediamide
SMILESCC(NC(=O)C(C)(C)C(=O)NC(C)C1(O)CCC1)C1(O)CCC1
InChIInChI=1S/C17H30N2O4/c1-11(16(22)7-5-8-16)18-13(20)15(3,4)14(21)19-12(2)17(23)9-6-10-17/h11-12,22-23H,5-10H2,1-4H3,(H,18,20)(H,19,21)
InChIKeyIONMJZKDSZJISY-UHFFFAOYSA-N
MW326.44 g/mol
LogP0.85
Rot. Bonds6

About N,N'-bis[1-(1-hydroxycyclobutyl)ethyl]-2,2-dimethylpropanediamide

N,N'-bis[1-(1-hydroxycyclobutyl)ethyl]-2,2-dimethylpropanediamide (PubChem CID 23140960) has the molecular formula C17H30N2O4 and a molecular weight of 326.44 g/mol. Its IUPAC name is N,N'-bis[1-(1-hydroxycyclobutyl)ethyl]-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN,N'-bis[1-(1-hydroxycyclobutyl)ethyl]-2,2-dimethylpropanediamide
PubChem CID23140960
Molecular FormulaC17H30N2O4
Molecular Weight326.44 g/mol
Exact Mass326.22
IUPAC NameN,N'-bis[1-(1-hydroxycyclobutyl)ethyl]-2,2-dimethylpropanediamide
SMILESCC(NC(=O)C(C)(C)C(=O)NC(C)C1(O)CCC1)C1(O)CCC1
InChIInChI=1S/C17H30N2O4/c1-11(16(22)7-5-8-16)18-13(20)15(3,4)14(21)19-12(2)17(23)9-6-10-17/h11-12,22-23H,5-10H2,1-4H3,(H,18,20)(H,19,21)
InChIKeyIONMJZKDSZJISY-UHFFFAOYSA-N
XLogP0.85
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 50.85
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[1-(1-hydroxycyclobutyl)ethyl]-2,2-dimethylpropanediamide?
The IUPAC name of N,N'-bis[1-(1-hydroxycyclobutyl)ethyl]-2,2-dimethylpropanediamide (CID 23140960) is N,N'-bis[1-(1-hydroxycyclobutyl)ethyl]-2,2-dimethylpropanediamide.
What is the SMILES notation for N,N'-bis[1-(1-hydroxycyclobutyl)ethyl]-2,2-dimethylpropanediamide?
The canonical SMILES for N,N'-bis[1-(1-hydroxycyclobutyl)ethyl]-2,2-dimethylpropanediamide is CC(NC(=O)C(C)(C)C(=O)NC(C)C1(O)CCC1)C1(O)CCC1.
What is the InChIKey of N,N'-bis[1-(1-hydroxycyclobutyl)ethyl]-2,2-dimethylpropanediamide?
The InChIKey is IONMJZKDSZJISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O4/c1-11(16(22)7-5-8-16)18-13(20)15(3,4)14(21)19-12(2)17(23)9-6-10-17/h11-12,22-23H,5-10H2,1-4H3,(H,18,20)(H,19,21).
What are the key properties of N,N'-bis[1-(1-hydroxycyclobutyl)ethyl]-2,2-dimethylpropanediamide?
N,N'-bis[1-(1-hydroxycyclobutyl)ethyl]-2,2-dimethylpropanediamide has a molecular weight of 326.44 g/mol, XLogP of 0.85, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[1-(1-hydroxycyclobutyl)ethyl]-2,2-dimethylpropanediamide is sourced from PubChem (CID 23140960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).