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

C9H18N2O6 — CID 91140393

IUPACN,N'-bis(1,3-dihydroxypropan-2-yl)propanediamide
SMILESO=C(CC(=O)NC(CO)CO)NC(CO)CO
InChIInChI=1S/C9H18N2O6/c12-2-6(3-13)10-8(16)1-9(17)11-7(4-14)5-15/h6-7,12-15H,1-5H2,(H,10,16)(H,11,17)
InChIKeyBJBITEMWBACZKN-UHFFFAOYSA-N
MW250.25 g/mol
LogP-3.68
Rot. Bonds8

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

N,N'-bis(1,3-dihydroxypropan-2-yl)propanediamide (PubChem CID 91140393) has the molecular formula C9H18N2O6 and a molecular weight of 250.25 g/mol. Its IUPAC name is N,N'-bis(1,3-dihydroxypropan-2-yl)propanediamide.

Molecular Properties

Compound NameN,N'-bis(1,3-dihydroxypropan-2-yl)propanediamide
PubChem CID91140393
Molecular FormulaC9H18N2O6
Molecular Weight250.25 g/mol
Exact Mass250.12
IUPAC NameN,N'-bis(1,3-dihydroxypropan-2-yl)propanediamide
SMILESO=C(CC(=O)NC(CO)CO)NC(CO)CO
InChIInChI=1S/C9H18N2O6/c12-2-6(3-13)10-8(16)1-9(17)11-7(4-14)5-15/h6-7,12-15H,1-5H2,(H,10,16)(H,11,17)
InChIKeyBJBITEMWBACZKN-UHFFFAOYSA-N
XLogP-3.68
TPSA139.12 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.25
LogP ≤ 5-3.68
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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,N'-bis(2-hydroxyethyl)propanediamide
CID 241552
3-(diethylamino)propanoic acid N-[tri(hydroxy-methyl)methyl]amide
CID 129761524
N,N'-bis[(2R)-1-hydroxy-3-methylbutan-2-yl]propanediamide
CID 1789280
N,N'-bis(3-hydroxypropyl)propanediamide
CID 3284086
N-[3-(1,3-dihydroxypropan-2-ylamino)-3-oxopropyl]-methylboronamidic acid
CID 18335775
N'-(2-hydroxyethyl)propanediamide
CID 21760078
N,N'-bis(2-hydroxyethyl)-2,2-dimethylpropanediamide
CID 22892559
N'-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-N-methylpropanediamide
CID 22900982
N,N'-bis(1-hydroxypropan-2-yl)-2,2-dimethylpropanediamide
CID 23140861
N,N'-bis(1-hydroxy-3,3-dimethylbutan-2-yl)propanediamide
CID 23140921
N,N'-bis(1-hydroxy-3-methylbutan-2-yl)-2,2-dimethylpropanediamide
CID 23140985

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(1,3-dihydroxypropan-2-yl)propanediamide?
The IUPAC name of N,N'-bis(1,3-dihydroxypropan-2-yl)propanediamide (CID 91140393) is N,N'-bis(1,3-dihydroxypropan-2-yl)propanediamide.
What is the SMILES notation for N,N'-bis(1,3-dihydroxypropan-2-yl)propanediamide?
The canonical SMILES for N,N'-bis(1,3-dihydroxypropan-2-yl)propanediamide is O=C(CC(=O)NC(CO)CO)NC(CO)CO.
What is the InChIKey of N,N'-bis(1,3-dihydroxypropan-2-yl)propanediamide?
The InChIKey is BJBITEMWBACZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O6/c12-2-6(3-13)10-8(16)1-9(17)11-7(4-14)5-15/h6-7,12-15H,1-5H2,(H,10,16)(H,11,17).
What are the key properties of N,N'-bis(1,3-dihydroxypropan-2-yl)propanediamide?
N,N'-bis(1,3-dihydroxypropan-2-yl)propanediamide has a molecular weight of 250.25 g/mol, XLogP of -3.68, 8 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(1,3-dihydroxypropan-2-yl)propanediamide is sourced from PubChem (CID 91140393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).