N'-butyl-N-(3-methoxypropyl)-N'-methylpropanediamide

C12H24N2O3 — CID 108943305

IUPACN'-butyl-N-(3-methoxypropyl)-N'-methylpropanediamide
SMILESCCCCN(C)C(=O)CC(=O)NCCCOC
InChIInChI=1S/C12H24N2O3/c1-4-5-8-14(2)12(16)10-11(15)13-7-6-9-17-3/h4-10H2,1-3H3,(H,13,15)
InChIKeyRRSUEPKPDNZPKJ-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.79
Rot. Bonds9

About N'-butyl-N-(3-methoxypropyl)-N'-methylpropanediamide

N'-butyl-N-(3-methoxypropyl)-N'-methylpropanediamide (PubChem CID 108943305) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is N'-butyl-N-(3-methoxypropyl)-N'-methylpropanediamide.

Molecular Properties

Compound NameN'-butyl-N-(3-methoxypropyl)-N'-methylpropanediamide
PubChem CID108943305
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC NameN'-butyl-N-(3-methoxypropyl)-N'-methylpropanediamide
SMILESCCCCN(C)C(=O)CC(=O)NCCCOC
InChIInChI=1S/C12H24N2O3/c1-4-5-8-14(2)12(16)10-11(15)13-7-6-9-17-3/h4-10H2,1-3H3,(H,13,15)
InChIKeyRRSUEPKPDNZPKJ-UHFFFAOYSA-N
XLogP0.79
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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,N'-dibutyl-N'-methylpropanediamide
CID 108941430
3-[acetyl(butyl)amino]-N-(3-methoxypropyl)propanamide
CID 113115724
2-[butyl(methylsulfonyl)amino]-N-(3-methoxypropyl)acetamide
CID 113148250
N'-butyl-N-(2-methoxyethyl)-N'-methyloxamide
CID 108505015
2-[butyl(methyl)amino]-N-(2-methoxyethyl)acetamide
CID 108994026
3-(3-methoxypropyl)-1-methyl-1-pentylthiourea
CID 116507373
N-(4-methoxybutyl)-2-[methyl(propyl)amino]acetamide
CID 154671140
2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]-N-(2-methoxyethyl)acetamide
CID 111160046
3-butyl-1-(3-methoxypropyl)-1-methylthiourea
CID 115595156
N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-2-(methylamino)acetamide
CID 60954160
2-[acetyl(3-methoxypropyl)amino]-N-butyl-N-methylacetamide
CID 113160069
N-butyl-N-methyl-3-oxobutanamide
CID 60934379

Frequently Asked Questions

What is the IUPAC name of N'-butyl-N-(3-methoxypropyl)-N'-methylpropanediamide?
The IUPAC name of N'-butyl-N-(3-methoxypropyl)-N'-methylpropanediamide (CID 108943305) is N'-butyl-N-(3-methoxypropyl)-N'-methylpropanediamide.
What is the SMILES notation for N'-butyl-N-(3-methoxypropyl)-N'-methylpropanediamide?
The canonical SMILES for N'-butyl-N-(3-methoxypropyl)-N'-methylpropanediamide is CCCCN(C)C(=O)CC(=O)NCCCOC.
What is the InChIKey of N'-butyl-N-(3-methoxypropyl)-N'-methylpropanediamide?
The InChIKey is RRSUEPKPDNZPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-4-5-8-14(2)12(16)10-11(15)13-7-6-9-17-3/h4-10H2,1-3H3,(H,13,15).
What are the key properties of N'-butyl-N-(3-methoxypropyl)-N'-methylpropanediamide?
N'-butyl-N-(3-methoxypropyl)-N'-methylpropanediamide has a molecular weight of 244.33 g/mol, XLogP of 0.79, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-N-(3-methoxypropyl)-N'-methylpropanediamide is sourced from PubChem (CID 108943305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).