N'-(2-methylpropanoyl)-N-propan-2-ylpropanediamide

C10H18N2O3 — CID 178083708

IUPACN'-(2-methylpropanoyl)-N-propan-2-ylpropanediamide
SMILESCC(C)NC(=O)CC(=O)NC(=O)C(C)C
InChIInChI=1S/C10H18N2O3/c1-6(2)10(15)12-9(14)5-8(13)11-7(3)4/h6-7H,5H2,1-4H3,(H,11,13)(H,12,14,15)
InChIKeyVHYCVRASVPJWQO-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.20
Rot. Bonds4

About N'-(2-methylpropanoyl)-N-propan-2-ylpropanediamide

N'-(2-methylpropanoyl)-N-propan-2-ylpropanediamide (PubChem CID 178083708) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is N'-(2-methylpropanoyl)-N-propan-2-ylpropanediamide.

Molecular Properties

Compound NameN'-(2-methylpropanoyl)-N-propan-2-ylpropanediamide
PubChem CID178083708
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC NameN'-(2-methylpropanoyl)-N-propan-2-ylpropanediamide
SMILESCC(C)NC(=O)CC(=O)NC(=O)C(C)C
InChIInChI=1S/C10H18N2O3/c1-6(2)10(15)12-9(14)5-8(13)11-7(3)4/h6-7H,5H2,1-4H3,(H,11,13)(H,12,14,15)
InChIKeyVHYCVRASVPJWQO-UHFFFAOYSA-N
XLogP0.20
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-propanoylpropanamide
CID 13378668
4-methyl-3-oxo-N-propan-2-ylpentanamide
CID 59848448
(E)-3,4-dimethyl-5-(2-methylpropanoylamino)-N-propan-2-ylpent-3-enamide
CID 15427851
N,N'-di(propan-2-yl)decanediamide
CID 58997511
N-ethyl-2-methylpropanamide;methane;N-propan-2-ylpropanamide
CID 160804032
N-propan-2-ylpropanamide;dihydrochloride
CID 172679019
3-methyl-N-propan-2-ylbut-3-enamide
CID 59532905
N-ethyl-2-methylpropanamide;N-propan-2-ylbutanamide
CID 158607783
N-(2-methylpropanoyl)heptanamide
CID 150179955
sodium 2-oxo-2-(propan-2-ylamino)ethanolate
CID 122705182
2-(2-hydroxyphenyl)-N-propan-2-ylacetamide
CID 78990911
N-propan-2-yl-2-(propylamino)acetamide
CID 28586282

Frequently Asked Questions

What is the IUPAC name of N'-(2-methylpropanoyl)-N-propan-2-ylpropanediamide?
The IUPAC name of N'-(2-methylpropanoyl)-N-propan-2-ylpropanediamide (CID 178083708) is N'-(2-methylpropanoyl)-N-propan-2-ylpropanediamide.
What is the SMILES notation for N'-(2-methylpropanoyl)-N-propan-2-ylpropanediamide?
The canonical SMILES for N'-(2-methylpropanoyl)-N-propan-2-ylpropanediamide is CC(C)NC(=O)CC(=O)NC(=O)C(C)C.
What is the InChIKey of N'-(2-methylpropanoyl)-N-propan-2-ylpropanediamide?
The InChIKey is VHYCVRASVPJWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-6(2)10(15)12-9(14)5-8(13)11-7(3)4/h6-7H,5H2,1-4H3,(H,11,13)(H,12,14,15).
What are the key properties of N'-(2-methylpropanoyl)-N-propan-2-ylpropanediamide?
N'-(2-methylpropanoyl)-N-propan-2-ylpropanediamide has a molecular weight of 214.26 g/mol, XLogP of 0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylpropanoyl)-N-propan-2-ylpropanediamide is sourced from PubChem (CID 178083708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).