N',N'-dibutyl-N-methylpropanediamide

C12H24N2O2 — CID 58195820

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

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

N',N'-dibutyl-N-methylpropanediamide (PubChem CID 58195820) 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 CID58195820
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN',N'-dibutyl-N-methylpropanediamide
SMILESCCCCN(CCCC)C(=O)CC(=O)NC
InChIInChI=1S/C12H24N2O2/c1-4-6-8-14(9-7-5-2)12(16)10-11(15)13-3/h4-10H2,1-3H3,(H,13,15)
InChIKeyDNBQSXSMNXWDRT-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': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-(dipentylamino)-3-oxopropanoic acid
CID 55049301
2-[butyl(methyl)amino]-N-methylacetamide
CID 123914364
(3Z)-3-amino-N,N-dibutyl-3-hydroxyiminopropanamide
CID 43155922
decyl-[2-(methylamino)-2-oxoethyl]carbamic acid
CID 87240984
[2-(methylamino)-2-oxoethyl]-pentadecylcarbamic acid
CID 87240875
2-[[2-(dibutylamino)-2-oxoethyl]amino]propanoic acid
CID 43466823
(2R)-2-[[2-(dibutylamino)-2-oxoethyl]amino]propanoic acid
CID 83194352
N-butyl-N-octyldecanamide
CID 18913402
2-[butyl(6-sulfanylhexyl)amino]-N-methylacetamide
CID 158713217
[2-(methylamino)-2-oxoethyl] N,N-dihexylcarbamate
CID 11960466
N,N-dibutyl-3-[3-(dibutylamino)-3-oxopropyl]sulfanylpropanamide
CID 559874
N-butyl-N-(2-chloroethyl)propanamide
CID 63390792

Frequently Asked Questions

What is the IUPAC name of N',N'-dibutyl-N-methylpropanediamide?
The IUPAC name of N',N'-dibutyl-N-methylpropanediamide (CID 58195820) 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 CCCCN(CCCC)C(=O)CC(=O)NC.
What is the InChIKey of N',N'-dibutyl-N-methylpropanediamide?
The InChIKey is DNBQSXSMNXWDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-4-6-8-14(9-7-5-2)12(16)10-11(15)13-3/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 58195820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).