N,N'-bis(1-hydroxy-3,3-dimethylbutan-2-yl)propanediamide

C15H30N2O4 — CID 23140921

IUPACN,N'-bis(1-hydroxy-3,3-dimethylbutan-2-yl)propanediamide
SMILESCC(C)(C)C(CO)NC(=O)CC(=O)NC(CO)C(C)(C)C
InChIInChI=1S/C15H30N2O4/c1-14(2,3)10(8-18)16-12(20)7-13(21)17-11(9-19)15(4,5)6/h10-11,18-19H,7-9H2,1-6H3,(H,16,20)(H,17,21)
InChIKeyWFULKTPEVYJWMP-UHFFFAOYSA-N
MW302.42 g/mol
LogP0.42
Rot. Bonds6

About N,N'-bis(1-hydroxy-3,3-dimethylbutan-2-yl)propanediamide

N,N'-bis(1-hydroxy-3,3-dimethylbutan-2-yl)propanediamide (PubChem CID 23140921) has the molecular formula C15H30N2O4 and a molecular weight of 302.42 g/mol. Its IUPAC name is N,N'-bis(1-hydroxy-3,3-dimethylbutan-2-yl)propanediamide.

Molecular Properties

Compound NameN,N'-bis(1-hydroxy-3,3-dimethylbutan-2-yl)propanediamide
PubChem CID23140921
Molecular FormulaC15H30N2O4
Molecular Weight302.42 g/mol
Exact Mass302.22
IUPAC NameN,N'-bis(1-hydroxy-3,3-dimethylbutan-2-yl)propanediamide
SMILESCC(C)(C)C(CO)NC(=O)CC(=O)NC(CO)C(C)(C)C
InChIInChI=1S/C15H30N2O4/c1-14(2,3)10(8-18)16-12(20)7-13(21)17-11(9-19)15(4,5)6/h10-11,18-19H,7-9H2,1-6H3,(H,16,20)(H,17,21)
InChIKeyWFULKTPEVYJWMP-UHFFFAOYSA-N
XLogP0.42
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 50.42
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-hydroxy-3,3-dimethylbutan-2-yl)propanediamide?
The IUPAC name of N,N'-bis(1-hydroxy-3,3-dimethylbutan-2-yl)propanediamide (CID 23140921) is N,N'-bis(1-hydroxy-3,3-dimethylbutan-2-yl)propanediamide.
What is the SMILES notation for N,N'-bis(1-hydroxy-3,3-dimethylbutan-2-yl)propanediamide?
The canonical SMILES for N,N'-bis(1-hydroxy-3,3-dimethylbutan-2-yl)propanediamide is CC(C)(C)C(CO)NC(=O)CC(=O)NC(CO)C(C)(C)C.
What is the InChIKey of N,N'-bis(1-hydroxy-3,3-dimethylbutan-2-yl)propanediamide?
The InChIKey is WFULKTPEVYJWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O4/c1-14(2,3)10(8-18)16-12(20)7-13(21)17-11(9-19)15(4,5)6/h10-11,18-19H,7-9H2,1-6H3,(H,16,20)(H,17,21).
What are the key properties of N,N'-bis(1-hydroxy-3,3-dimethylbutan-2-yl)propanediamide?
N,N'-bis(1-hydroxy-3,3-dimethylbutan-2-yl)propanediamide has a molecular weight of 302.42 g/mol, XLogP of 0.42, 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-hydroxy-3,3-dimethylbutan-2-yl)propanediamide is sourced from PubChem (CID 23140921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).