N,N'-bis(1-hydroxypropan-2-yl)propanediamide

C9H18N2O4 — CID 23141053

IUPACN,N'-bis(1-hydroxypropan-2-yl)propanediamide
SMILESCC(CO)NC(=O)CC(=O)NC(C)CO
InChIInChI=1S/C9H18N2O4/c1-6(4-12)10-8(14)3-9(15)11-7(2)5-13/h6-7,12-13H,3-5H2,1-2H3,(H,10,14)(H,11,15)
InChIKeyVXYZIOROFFDXJM-UHFFFAOYSA-N
MW218.25 g/mol
LogP-1.63
Rot. Bonds6

About N,N'-bis(1-hydroxypropan-2-yl)propanediamide

N,N'-bis(1-hydroxypropan-2-yl)propanediamide (PubChem CID 23141053) has the molecular formula C9H18N2O4 and a molecular weight of 218.25 g/mol. Its IUPAC name is N,N'-bis(1-hydroxypropan-2-yl)propanediamide.

Molecular Properties

Compound NameN,N'-bis(1-hydroxypropan-2-yl)propanediamide
PubChem CID23141053
Molecular FormulaC9H18N2O4
Molecular Weight218.25 g/mol
Exact Mass218.13
IUPAC NameN,N'-bis(1-hydroxypropan-2-yl)propanediamide
SMILESCC(CO)NC(=O)CC(=O)NC(C)CO
InChIInChI=1S/C9H18N2O4/c1-6(4-12)10-8(14)3-9(15)11-7(2)5-13/h6-7,12-13H,3-5H2,1-2H3,(H,10,14)(H,11,15)
InChIKeyVXYZIOROFFDXJM-UHFFFAOYSA-N
XLogP-1.63
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 5-1.63
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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Related Compounds

N,N'-bis(1-hydroxy-3-methylbutan-2-yl)propanediamide
CID 2911778
N-[(2R)-1-hydroxybutan-2-yl]-2,2-dimethylpropanamide
CID 57328058
3-acetamido-N-(2-hydroxyethyl)propanamide
CID 19805630
N,N'-bis[1-(hydroxymethyl)propyl]butanediamide
CID 469964
3-butylamino-4-hydroxy-N-butylbutyramide
CID 13512411
N,N'-bis(2-hydroxyethyl)propanediamide
CID 241552
3-(diethylamino)propanoic acid N-[tri(hydroxy-methyl)methyl]amide
CID 129761524
2-[3-(Propan-2-ylamino)propanoylamino]ethyl hypofluorite
CID 172314350
N-tert-butyl-2-fluoro-N'-(2-hydroxyethyl)propanediamide
CID 177087566
N-(1-hydroxybutan-2-yl)butanamide
CID 15732300
H-Ala-Ala-Ala-Ala-ol
CID 155903121
H-Ala-Ala-Ala-Ala-Ala-ol
CID 163184847

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(1-hydroxypropan-2-yl)propanediamide?
The IUPAC name of N,N'-bis(1-hydroxypropan-2-yl)propanediamide (CID 23141053) is N,N'-bis(1-hydroxypropan-2-yl)propanediamide.
What is the SMILES notation for N,N'-bis(1-hydroxypropan-2-yl)propanediamide?
The canonical SMILES for N,N'-bis(1-hydroxypropan-2-yl)propanediamide is CC(CO)NC(=O)CC(=O)NC(C)CO.
What is the InChIKey of N,N'-bis(1-hydroxypropan-2-yl)propanediamide?
The InChIKey is VXYZIOROFFDXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4/c1-6(4-12)10-8(14)3-9(15)11-7(2)5-13/h6-7,12-13H,3-5H2,1-2H3,(H,10,14)(H,11,15).
What are the key properties of N,N'-bis(1-hydroxypropan-2-yl)propanediamide?
N,N'-bis(1-hydroxypropan-2-yl)propanediamide has a molecular weight of 218.25 g/mol, XLogP of -1.63, 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-hydroxypropan-2-yl)propanediamide is sourced from PubChem (CID 23141053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).