N,N'-dibutyl-N'-methylpropanediamide

C12H24N2O2 — CID 108941430

IUPACN,N'-dibutyl-N'-methylpropanediamide
SMILESCCCCNC(=O)CC(=O)N(C)CCCC
InChIInChI=1S/C12H24N2O2/c1-4-6-8-13-11(15)10-12(16)14(3)9-7-5-2/h4-10H2,1-3H3,(H,13,15)
InChIKeyMYVQKPRQFKPYKD-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.55
Rot. Bonds8

About N,N'-dibutyl-N'-methylpropanediamide

N,N'-dibutyl-N'-methylpropanediamide (PubChem CID 108941430) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N,N'-dibutyl-N'-methylpropanediamide.

Molecular Properties

Compound NameN,N'-dibutyl-N'-methylpropanediamide
PubChem CID108941430
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN,N'-dibutyl-N'-methylpropanediamide
SMILESCCCCNC(=O)CC(=O)N(C)CCCC
InChIInChI=1S/C12H24N2O2/c1-4-6-8-13-11(15)10-12(16)14(3)9-7-5-2/h4-10H2,1-3H3,(H,13,15)
InChIKeyMYVQKPRQFKPYKD-UHFFFAOYSA-N
XLogP1.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N'-butyl-N-(3-methoxypropyl)-N'-methylpropanediamide
CID 108943305
N-butyl-N-methyl-3-oxobutanamide
CID 60934379
N-benzyl-N'-butyl-N'-methylpropanediamide
CID 108945252
N-butan-2-yl-N'-butyl-N'-methylpropanediamide
CID 108941812
N-butyl-N'-methyl-N'-(4-methylpentyl)butanediamide;ethane
CID 169103058
N-butyl-N'-pentylpropanediamide
CID 89202031
N-butyl-2-(dipropylamino)acetamide
CID 54817378
2-[2-[heptyl(methyl)amino]-2-oxoethoxy]-N-[4-[[2-[2-[heptyl(methyl)amino]-2-oxoethoxy]acetyl]amino]butyl]acetamide
CID 546525
N-butyl-3-oxobutanamide
CID 5161533
N,N'-didodecyl-N,N'-dimethyl-3-oxopentanediamide
CID 164993773
N-butyl-2-(diethylamino)acetamide
CID 54813643
N-[6-[acetyl(methyl)amino]hexyl]-N-methyl-6-(pentanoylamino)hexanamide
CID 169077270

Frequently Asked Questions

What is the IUPAC name of N,N'-dibutyl-N'-methylpropanediamide?
The IUPAC name of N,N'-dibutyl-N'-methylpropanediamide (CID 108941430) is N,N'-dibutyl-N'-methylpropanediamide.
What is the SMILES notation for N,N'-dibutyl-N'-methylpropanediamide?
The canonical SMILES for N,N'-dibutyl-N'-methylpropanediamide is CCCCNC(=O)CC(=O)N(C)CCCC.
What is the InChIKey of N,N'-dibutyl-N'-methylpropanediamide?
The InChIKey is MYVQKPRQFKPYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-4-6-8-13-11(15)10-12(16)14(3)9-7-5-2/h4-10H2,1-3H3,(H,13,15).
What are the key properties of N,N'-dibutyl-N'-methylpropanediamide?
N,N'-dibutyl-N'-methylpropanediamide has a molecular weight of 228.34 g/mol, XLogP of 1.55, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dibutyl-N'-methylpropanediamide is sourced from PubChem (CID 108941430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).