N'-(3-methylbutyl)-N-(3-propan-2-yloxypropyl)butanediamide

C15H30N2O3 — CID 5167473

IUPACN'-(3-methylbutyl)-N-(3-propan-2-yloxypropyl)butanediamide
SMILESCC(C)CCNC(=O)CCC(=O)NCCCOC(C)C
InChIInChI=1S/C15H30N2O3/c1-12(2)8-10-17-15(19)7-6-14(18)16-9-5-11-20-13(3)4/h12-13H,5-11H2,1-4H3,(H,16,18)(H,17,19)
InChIKeyJGQUVIHCJUASJE-UHFFFAOYSA-N
MW286.42 g/mol
LogP1.86
Rot. Bonds11

About N'-(3-methylbutyl)-N-(3-propan-2-yloxypropyl)butanediamide

N'-(3-methylbutyl)-N-(3-propan-2-yloxypropyl)butanediamide (PubChem CID 5167473) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is N'-(3-methylbutyl)-N-(3-propan-2-yloxypropyl)butanediamide.

Molecular Properties

Compound NameN'-(3-methylbutyl)-N-(3-propan-2-yloxypropyl)butanediamide
PubChem CID5167473
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC NameN'-(3-methylbutyl)-N-(3-propan-2-yloxypropyl)butanediamide
SMILESCC(C)CCNC(=O)CCC(=O)NCCCOC(C)C
InChIInChI=1S/C15H30N2O3/c1-12(2)8-10-17-15(19)7-6-14(18)16-9-5-11-20-13(3)4/h12-13H,5-11H2,1-4H3,(H,16,18)(H,17,19)
InChIKeyJGQUVIHCJUASJE-UHFFFAOYSA-N
XLogP1.86
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

8-methyl-N-(3-propan-2-yloxypropyl)nonanamide
CID 147959666
N-(3-methylbutyl)-3-(4-propan-2-yloxybutoxy)propanamide
CID 134351969
4-amino-N-(3-propan-2-yloxypropyl)pentanamide;hydrochloride
CID 120558859
N-heptyl-N'-(3-propan-2-yloxypropyl)butanediamide
CID 4554473
6-methyl-4-oxo-N-(6-propan-2-yloxyhexyl)heptanamide
CID 163940607
N,N'-bis(3-methylbutyl)hexanediamide
CID 5045138
5,5-dimethyl-N-(3-propan-2-yloxypropyl)hexanamide
CID 156551412
7-amino-N-(3-propan-2-yloxypropyl)heptanamide
CID 61275030
4-methyl-N-[2-(2-propan-2-yloxyethoxy)ethyl]pentanamide
CID 176759210
N-[4-(methylamino)butyl]-4-propan-2-yloxybutanamide
CID 162749933
5-(4-propan-2-yloxybutanoylamino)pentanoic acid
CID 120687441
N-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethyl]-4-propan-2-yloxybutanamide;molecular hydrogen
CID 155739554

Frequently Asked Questions

What is the IUPAC name of N'-(3-methylbutyl)-N-(3-propan-2-yloxypropyl)butanediamide?
The IUPAC name of N'-(3-methylbutyl)-N-(3-propan-2-yloxypropyl)butanediamide (CID 5167473) is N'-(3-methylbutyl)-N-(3-propan-2-yloxypropyl)butanediamide.
What is the SMILES notation for N'-(3-methylbutyl)-N-(3-propan-2-yloxypropyl)butanediamide?
The canonical SMILES for N'-(3-methylbutyl)-N-(3-propan-2-yloxypropyl)butanediamide is CC(C)CCNC(=O)CCC(=O)NCCCOC(C)C.
What is the InChIKey of N'-(3-methylbutyl)-N-(3-propan-2-yloxypropyl)butanediamide?
The InChIKey is JGQUVIHCJUASJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-12(2)8-10-17-15(19)7-6-14(18)16-9-5-11-20-13(3)4/h12-13H,5-11H2,1-4H3,(H,16,18)(H,17,19).
What are the key properties of N'-(3-methylbutyl)-N-(3-propan-2-yloxypropyl)butanediamide?
N'-(3-methylbutyl)-N-(3-propan-2-yloxypropyl)butanediamide has a molecular weight of 286.42 g/mol, XLogP of 1.86, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methylbutyl)-N-(3-propan-2-yloxypropyl)butanediamide is sourced from PubChem (CID 5167473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).