3,7-dimethyl-N-[3-[2-(2-propoxyethoxy)ethoxy]propyl]-9-(2,2,6-trimethylcyclohexyl)nonanamide

C30H59NO4 — CID 139473549

IUPAC3,7-dimethyl-N-[3-[2-(2-propoxyethoxy)ethoxy]propyl]-9-(2,2,6-trimethylcyclohexyl)nonanamide
SMILESCCCOCCOCCOCCCNC(=O)CC(C)CCCC(C)CCC1C(C)CCCC1(C)C
InChIInChI=1S/C30H59NO4/c1-7-18-33-20-22-35-23-21-34-19-10-17-31-29(32)24-26(3)12-8-11-25(2)14-15-28-27(4)13-9-16-30(28,5)6/h25-28H,7-24H2,1-6H3,(H,31,32)
InChIKeyGCKCDGOCSVJGIO-UHFFFAOYSA-N
MW497.81 g/mol
LogP7.03
Rot. Bonds21

About 3,7-dimethyl-N-[3-[2-(2-propoxyethoxy)ethoxy]propyl]-9-(2,2,6-trimethylcyclohexyl)nonanamide

3,7-dimethyl-N-[3-[2-(2-propoxyethoxy)ethoxy]propyl]-9-(2,2,6-trimethylcyclohexyl)nonanamide (PubChem CID 139473549) has the molecular formula C30H59NO4 and a molecular weight of 497.81 g/mol. Its IUPAC name is 3,7-dimethyl-N-[3-[2-(2-propoxyethoxy)ethoxy]propyl]-9-(2,2,6-trimethylcyclohexyl)nonanamide.

Molecular Properties

Compound Name3,7-dimethyl-N-[3-[2-(2-propoxyethoxy)ethoxy]propyl]-9-(2,2,6-trimethylcyclohexyl)nonanamide
PubChem CID139473549
Molecular FormulaC30H59NO4
Molecular Weight497.81 g/mol
Exact Mass497.44
IUPAC Name3,7-dimethyl-N-[3-[2-(2-propoxyethoxy)ethoxy]propyl]-9-(2,2,6-trimethylcyclohexyl)nonanamide
SMILESCCCOCCOCCOCCCNC(=O)CC(C)CCCC(C)CCC1C(C)CCCC1(C)C
InChIInChI=1S/C30H59NO4/c1-7-18-33-20-22-35-23-21-34-19-10-17-31-29(32)24-26(3)12-8-11-25(2)14-15-28-27(4)13-9-16-30(28,5)6/h25-28H,7-24H2,1-6H3,(H,31,32)
InChIKeyGCKCDGOCSVJGIO-UHFFFAOYSA-N
XLogP7.03
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds21
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.81
LogP ≤ 57.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,7-dimethyl-N-[3-[2-[2-[3-(4-oxobutanoylamino)propoxy]ethoxy]ethoxy]propyl]-9-(2,2,6-trimethylcyclohexyl)nonanamide
CID 139473592
cis-(2R,3S)-1,1,3-trimethyl-2-[(3S,7R,12S,16S)-3,7,12,16-tetramethyl-18-[(1R,6S)-2,2,6-trimethylcyclohexyl]octadecyl]cyclohexane
CID 162940926
2,4,4-trimethyl-3-[3,7,12,16-tetramethyl-18-(2,2,6-trimethylcyclohexyl)octadecyl]cyclohexan-1-ol
CID 70877793
4-amino-N-(3-butoxypropyl)-3-methylbutanamide
CID 115737913
N-(3-butoxypropyl)-2-(3-methylpiperidin-2-yl)acetamide
CID 107148072
4-amino-N-(3-propoxypropyl)pentanamide
CID 82942655
N-[1-[4-bromo-1-[(5-ethenyl-6-methoxy-1-benzofuran-7-yl)oxy]heptan-3-yl]pyridin-1-ium-4-yl]-3,7-dimethyl-9-(2,2,6-trimethylcyclohexyl)nonanamide
CID 91389935
propan-1-ol;1,1,3-trimethyl-2-propylcyclohexane
CID 67220237
4-amino-N-[3-(cyclopropylmethoxy)propyl]-3-methylbutanamide
CID 81070667
ethyl 5-(2,5,5,8a-tetramethyl-1,2,3,4,4a,6,7,8-octahydronaphthalen-1-yl)-3-methylpentanoate
CID 58667500
(1S,2R,4bR,10aR)-1-[(3S)-3,7-dimethylnonyl]-2,4b,8,8,10a-pentamethyl-2,3,4,4a,5,6,7,8a,9,10-decahydro-1H-phenanthrene
CID 91752429
3-methyl-N-[2-[2-[2-[3-(4-methylpentylamino)-3-oxopropoxy]ethoxy]ethoxy]ethyl]pentanamide
CID 168959082

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-N-[3-[2-(2-propoxyethoxy)ethoxy]propyl]-9-(2,2,6-trimethylcyclohexyl)nonanamide?
The IUPAC name of 3,7-dimethyl-N-[3-[2-(2-propoxyethoxy)ethoxy]propyl]-9-(2,2,6-trimethylcyclohexyl)nonanamide (CID 139473549) is 3,7-dimethyl-N-[3-[2-(2-propoxyethoxy)ethoxy]propyl]-9-(2,2,6-trimethylcyclohexyl)nonanamide.
What is the SMILES notation for 3,7-dimethyl-N-[3-[2-(2-propoxyethoxy)ethoxy]propyl]-9-(2,2,6-trimethylcyclohexyl)nonanamide?
The canonical SMILES for 3,7-dimethyl-N-[3-[2-(2-propoxyethoxy)ethoxy]propyl]-9-(2,2,6-trimethylcyclohexyl)nonanamide is CCCOCCOCCOCCCNC(=O)CC(C)CCCC(C)CCC1C(C)CCCC1(C)C.
What is the InChIKey of 3,7-dimethyl-N-[3-[2-(2-propoxyethoxy)ethoxy]propyl]-9-(2,2,6-trimethylcyclohexyl)nonanamide?
The InChIKey is GCKCDGOCSVJGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H59NO4/c1-7-18-33-20-22-35-23-21-34-19-10-17-31-29(32)24-26(3)12-8-11-25(2)14-15-28-27(4)13-9-16-30(28,5)6/h25-28H,7-24H2,1-6H3,(H,31,32).
What are the key properties of 3,7-dimethyl-N-[3-[2-(2-propoxyethoxy)ethoxy]propyl]-9-(2,2,6-trimethylcyclohexyl)nonanamide?
3,7-dimethyl-N-[3-[2-(2-propoxyethoxy)ethoxy]propyl]-9-(2,2,6-trimethylcyclohexyl)nonanamide has a molecular weight of 497.81 g/mol, XLogP of 7.03, 21 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-N-[3-[2-(2-propoxyethoxy)ethoxy]propyl]-9-(2,2,6-trimethylcyclohexyl)nonanamide is sourced from PubChem (CID 139473549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).