N-butan-2-yl-N'-butyl-N'-methylpropanediamide

C12H24N2O2 — CID 108941812

IUPACN-butan-2-yl-N'-butyl-N'-methylpropanediamide
SMILESCCCCN(C)C(=O)CC(=O)NC(C)CC
InChIInChI=1S/C12H24N2O2/c1-5-7-8-14(4)12(16)9-11(15)13-10(3)6-2/h10H,5-9H2,1-4H3,(H,13,15)
InChIKeyMTIKFVSUUMBRNG-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.55
Rot. Bonds7

About N-butan-2-yl-N'-butyl-N'-methylpropanediamide

N-butan-2-yl-N'-butyl-N'-methylpropanediamide (PubChem CID 108941812) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-butan-2-yl-N'-butyl-N'-methylpropanediamide.

Molecular Properties

Compound NameN-butan-2-yl-N'-butyl-N'-methylpropanediamide
PubChem CID108941812
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-butan-2-yl-N'-butyl-N'-methylpropanediamide
SMILESCCCCN(C)C(=O)CC(=O)NC(C)CC
InChIInChI=1S/C12H24N2O2/c1-5-7-8-14(4)12(16)9-11(15)13-10(3)6-2/h10H,5-9H2,1-4H3,(H,13,15)
InChIKeyMTIKFVSUUMBRNG-UHFFFAOYSA-N
XLogP1.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N'-dibutyl-N'-methylpropanediamide
CID 108941430
3-[[2-(butan-2-ylamino)-2-oxoethyl]-butylamino]propanoic acid
CID 82327333
N-butyl-N-methyl-3-oxobutanamide
CID 60934379
2-[acetyl(butyl)amino]-N-butan-2-ylacetamide
CID 113158615
N-butan-2-ylhexacosanamide
CID 163047877
N-butan-2-ylnonanamide
CID 4188803
3-[[2-(butan-2-ylamino)-2-oxoethyl]-hexylamino]propanoic acid
CID 82327338
2-[acetyl(pentyl)amino]-N-butan-2-ylacetamide
CID 113166653
N,N'-didodecyl-N,N'-dimethyl-3-oxopentanediamide
CID 164993773
N'-butyl-N-(3-methoxypropyl)-N'-methylpropanediamide
CID 108943305
N-butan-2-yl-2-[2-hydroxyethyl(propyl)amino]acetamide
CID 60691813
N-butyl-N,2-dimethylpropanamide
CID 21413636

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N'-butyl-N'-methylpropanediamide?
The IUPAC name of N-butan-2-yl-N'-butyl-N'-methylpropanediamide (CID 108941812) is N-butan-2-yl-N'-butyl-N'-methylpropanediamide.
What is the SMILES notation for N-butan-2-yl-N'-butyl-N'-methylpropanediamide?
The canonical SMILES for N-butan-2-yl-N'-butyl-N'-methylpropanediamide is CCCCN(C)C(=O)CC(=O)NC(C)CC.
What is the InChIKey of N-butan-2-yl-N'-butyl-N'-methylpropanediamide?
The InChIKey is MTIKFVSUUMBRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-5-7-8-14(4)12(16)9-11(15)13-10(3)6-2/h10H,5-9H2,1-4H3,(H,13,15).
What are the key properties of N-butan-2-yl-N'-butyl-N'-methylpropanediamide?
N-butan-2-yl-N'-butyl-N'-methylpropanediamide has a molecular weight of 228.34 g/mol, XLogP of 1.55, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N'-butyl-N'-methylpropanediamide is sourced from PubChem (CID 108941812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).