5,5-dimethyl-N-(3-propan-2-yloxypropyl)hexanamide

C14H29NO2 — CID 156551412

IUPAC5,5-dimethyl-N-(3-propan-2-yloxypropyl)hexanamide
SMILESCC(C)OCCCNC(=O)CCCC(C)(C)C
InChIInChI=1S/C14H29NO2/c1-12(2)17-11-7-10-15-13(16)8-6-9-14(3,4)5/h12H,6-11H2,1-5H3,(H,15,16)
InChIKeyZPGWKMNYYMTYCL-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.13
Rot. Bonds8

About 5,5-dimethyl-N-(3-propan-2-yloxypropyl)hexanamide

5,5-dimethyl-N-(3-propan-2-yloxypropyl)hexanamide (PubChem CID 156551412) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 5,5-dimethyl-N-(3-propan-2-yloxypropyl)hexanamide.

Molecular Properties

Compound Name5,5-dimethyl-N-(3-propan-2-yloxypropyl)hexanamide
PubChem CID156551412
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name5,5-dimethyl-N-(3-propan-2-yloxypropyl)hexanamide
SMILESCC(C)OCCCNC(=O)CCCC(C)(C)C
InChIInChI=1S/C14H29NO2/c1-12(2)17-11-7-10-15-13(16)8-6-9-14(3,4)5/h12H,6-11H2,1-5H3,(H,15,16)
InChIKeyZPGWKMNYYMTYCL-UHFFFAOYSA-N
XLogP3.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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
7-amino-N-(3-propan-2-yloxypropyl)heptanamide
CID 61275030
N'-(3-methylbutyl)-N-(3-propan-2-yloxypropyl)butanediamide
CID 5167473
N-[4-(methylamino)butyl]-4-propan-2-yloxybutanamide
CID 162749933
4-amino-N-(3-propan-2-yloxypropyl)pentanamide;hydrochloride
CID 120558859
N-heptyl-N'-(3-propan-2-yloxypropyl)butanediamide
CID 4554473
5-(4-propan-2-yloxybutanoylamino)pentanoic acid
CID 120687441
N-(5,5-dimethylhexyl)-6,6-dimethylheptanamide
CID 155613162
(2R)-2,4-dihydroxy-3,3-dimethyl-N-[3-oxo-3-(3-propan-2-yloxypropylamino)propyl]butanamide
CID 25172212
N-[2-oxo-2-(4-propan-2-yloxybutylamino)ethyl]-6-propan-2-yloxyhexanamide
CID 166698453
1-[(E)-3,3-dimethylbut-1-enyl]-3-(3-propan-2-yloxypropyl)urea
CID 108911431
4-propan-2-yloxy-N-[4-(prop-2-enoylamino)butyl]butanamide
CID 88906866

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-N-(3-propan-2-yloxypropyl)hexanamide?
The IUPAC name of 5,5-dimethyl-N-(3-propan-2-yloxypropyl)hexanamide (CID 156551412) is 5,5-dimethyl-N-(3-propan-2-yloxypropyl)hexanamide.
What is the SMILES notation for 5,5-dimethyl-N-(3-propan-2-yloxypropyl)hexanamide?
The canonical SMILES for 5,5-dimethyl-N-(3-propan-2-yloxypropyl)hexanamide is CC(C)OCCCNC(=O)CCCC(C)(C)C.
What is the InChIKey of 5,5-dimethyl-N-(3-propan-2-yloxypropyl)hexanamide?
The InChIKey is ZPGWKMNYYMTYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-12(2)17-11-7-10-15-13(16)8-6-9-14(3,4)5/h12H,6-11H2,1-5H3,(H,15,16).
What are the key properties of 5,5-dimethyl-N-(3-propan-2-yloxypropyl)hexanamide?
5,5-dimethyl-N-(3-propan-2-yloxypropyl)hexanamide has a molecular weight of 243.39 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-N-(3-propan-2-yloxypropyl)hexanamide is sourced from PubChem (CID 156551412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).