butane;2,2-dimethyl-3-(3-methylhexan-3-yloxy)-N-nonylpropanamide;ethane

C29H65NO2 — CID 177149883

IUPACbutane;2,2-dimethyl-3-(3-methylhexan-3-yloxy)-N-nonylpropanamide;ethane
SMILESCC.CC.CCCC.CCCCCCCCCNC(=O)C(C)(C)COC(C)(CC)CCC
InChIInChI=1S/C21H43NO2.C4H10.2C2H6/c1-7-10-11-12-13-14-15-17-22-19(23)20(4,5)18-24-21(6,9-3)16-8-2;1-3-4-2;2*1-2/h7-18H2,1-6H3,(H,22,23);3-4H2,1-2H3;2*1-2H3
InChIKeySAVYCEFVQKBCCG-UHFFFAOYSA-N
MW459.84 g/mol
LogP9.72
Rot. Bonds16

About butane;2,2-dimethyl-3-(3-methylhexan-3-yloxy)-N-nonylpropanamide;ethane

butane;2,2-dimethyl-3-(3-methylhexan-3-yloxy)-N-nonylpropanamide;ethane (PubChem CID 177149883) has the molecular formula C29H65NO2 and a molecular weight of 459.84 g/mol. Its IUPAC name is butane;2,2-dimethyl-3-(3-methylhexan-3-yloxy)-N-nonylpropanamide;ethane.

Molecular Properties

Compound Namebutane;2,2-dimethyl-3-(3-methylhexan-3-yloxy)-N-nonylpropanamide;ethane
PubChem CID177149883
Molecular FormulaC29H65NO2
Molecular Weight459.84 g/mol
Exact Mass459.50
IUPAC Namebutane;2,2-dimethyl-3-(3-methylhexan-3-yloxy)-N-nonylpropanamide;ethane
SMILESCC.CC.CCCC.CCCCCCCCCNC(=O)C(C)(C)COC(C)(CC)CCC
InChIInChI=1S/C21H43NO2.C4H10.2C2H6/c1-7-10-11-12-13-14-15-17-22-19(23)20(4,5)18-24-21(6,9-3)16-8-2;1-3-4-2;2*1-2/h7-18H2,1-6H3,(H,22,23);3-4H2,1-2H3;2*1-2H3
InChIKeySAVYCEFVQKBCCG-UHFFFAOYSA-N
XLogP9.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.84
LogP ≤ 59.72
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

tert-butyl N-[3-(dodecylamino)-2,2-dimethyl-3-oxopropyl]carbamate
CID 135363819
3-hydroxy-2,2-dimethyl-N-pentylpropanamide
CID 171795881
2,2-dimethyl-N-tetradecylpropanamide
CID 11220230
2,2,4,4-tetramethyl-N-octylhexanamide
CID 178052018
4-(2,5-dimethyl-4-oxohexan-2-yl)oxy-2,2-dimethyl-N-pentylbutanamide;methanol
CID 168959673
ethane;2-methylbutan-2-yl N-nonylcarbamate;molecular hydrogen;propane
CID 144560369
tert-butyl N-nonylcarbamate;ethane
CID 168941348
2-(ethylamino)-2-methyl-N-octylpropanamide
CID 113337256
2-amino-2-ethyl-N-hexylbutanamide
CID 79810029
N-butyl-2,2,5-trimethylhexanamide
CID 145422242
2,2,2-trifluoro-N-icosylacetamide
CID 91692791
2,2,2-trichloro-N-dodecylacetamide
CID 4986291

Frequently Asked Questions

What is the IUPAC name of butane;2,2-dimethyl-3-(3-methylhexan-3-yloxy)-N-nonylpropanamide;ethane?
The IUPAC name of butane;2,2-dimethyl-3-(3-methylhexan-3-yloxy)-N-nonylpropanamide;ethane (CID 177149883) is butane;2,2-dimethyl-3-(3-methylhexan-3-yloxy)-N-nonylpropanamide;ethane.
What is the SMILES notation for butane;2,2-dimethyl-3-(3-methylhexan-3-yloxy)-N-nonylpropanamide;ethane?
The canonical SMILES for butane;2,2-dimethyl-3-(3-methylhexan-3-yloxy)-N-nonylpropanamide;ethane is CC.CC.CCCC.CCCCCCCCCNC(=O)C(C)(C)COC(C)(CC)CCC.
What is the InChIKey of butane;2,2-dimethyl-3-(3-methylhexan-3-yloxy)-N-nonylpropanamide;ethane?
The InChIKey is SAVYCEFVQKBCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H43NO2.C4H10.2C2H6/c1-7-10-11-12-13-14-15-17-22-19(23)20(4,5)18-24-21(6,9-3)16-8-2;1-3-4-2;2*1-2/h7-18H2,1-6H3,(H,22,23);3-4H2,1-2H3;2*1-2H3.
What are the key properties of butane;2,2-dimethyl-3-(3-methylhexan-3-yloxy)-N-nonylpropanamide;ethane?
butane;2,2-dimethyl-3-(3-methylhexan-3-yloxy)-N-nonylpropanamide;ethane has a molecular weight of 459.84 g/mol, XLogP of 9.72, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butane;2,2-dimethyl-3-(3-methylhexan-3-yloxy)-N-nonylpropanamide;ethane is sourced from PubChem (CID 177149883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).