5-ethoxy-N-[3-methyl-3-(3,3,4-trimethylpentoxy)pentyl]pentanamide

C21H43NO3 — CID 170703404

IUPAC5-ethoxy-N-[3-methyl-3-(3,3,4-trimethylpentoxy)pentyl]pentanamide
SMILESCCOCCCCC(=O)NCCC(C)(CC)OCCC(C)(C)C(C)C
InChIInChI=1S/C21H43NO3/c1-8-21(7,25-17-14-20(5,6)18(3)4)13-15-22-19(23)12-10-11-16-24-9-2/h18H,8-17H2,1-7H3,(H,22,23)
InChIKeyRSZCHTLPTFEPSV-UHFFFAOYSA-N
MW357.58 g/mol
LogP4.96
Rot. Bonds15

About 5-ethoxy-N-[3-methyl-3-(3,3,4-trimethylpentoxy)pentyl]pentanamide

5-ethoxy-N-[3-methyl-3-(3,3,4-trimethylpentoxy)pentyl]pentanamide (PubChem CID 170703404) has the molecular formula C21H43NO3 and a molecular weight of 357.58 g/mol. Its IUPAC name is 5-ethoxy-N-[3-methyl-3-(3,3,4-trimethylpentoxy)pentyl]pentanamide.

Molecular Properties

Compound Name5-ethoxy-N-[3-methyl-3-(3,3,4-trimethylpentoxy)pentyl]pentanamide
PubChem CID170703404
Molecular FormulaC21H43NO3
Molecular Weight357.58 g/mol
Exact Mass357.32
IUPAC Name5-ethoxy-N-[3-methyl-3-(3,3,4-trimethylpentoxy)pentyl]pentanamide
SMILESCCOCCCCC(=O)NCCC(C)(CC)OCCC(C)(C)C(C)C
InChIInChI=1S/C21H43NO3/c1-8-21(7,25-17-14-20(5,6)18(3)4)13-15-22-19(23)12-10-11-16-24-9-2/h18H,8-17H2,1-7H3,(H,22,23)
InChIKeyRSZCHTLPTFEPSV-UHFFFAOYSA-N
XLogP4.96
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.58
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-octadecoxypropyl N-[6-[[3-[3-(2-hydrazinylethoxy)-3-methylpentoxy]-3-methylpentyl]amino]-6-oxohexyl]carbamate
CID 123853932
5-ethoxy-N-[2-(3-methylbutoxy)ethyl]pentanamide;molecular hydrogen
CID 177338046
5-ethoxy-N-[2-(2-propan-2-yloxyethoxy)ethyl]pentanamide;molecular hydrogen
CID 177338018
4-ethoxy-N-(2-hydroxyethyl)butanamide
CID 112728032
ethane;4-ethoxy-N-[4-(propan-2-ylamino)butyl]butanamide
CID 162749925
N-(2-ethoxyethyl)-4-(propan-2-ylamino)butanamide
CID 60850792
4-amino-N-(3-ethoxypropyl)pentanamide;hydrochloride
CID 120558779
N'-[3-[2-[2-[3-(tert-butylamino)propoxy]ethoxy]ethoxy]propyl]-N-(3-ethoxypropyl)pentanediamide
CID 88902416
tert-butyl N-[3-methyl-3-(3-methylbutoxy)pentyl]carbamate
CID 118409061
4-ethoxy-N-pent-4-ynylbutanamide
CID 103708929
tert-butyl N-[2-(3-ethoxypropanoylamino)ethyl]carbamate
CID 155275245
CID 169190202
CID 169190202

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-N-[3-methyl-3-(3,3,4-trimethylpentoxy)pentyl]pentanamide?
The IUPAC name of 5-ethoxy-N-[3-methyl-3-(3,3,4-trimethylpentoxy)pentyl]pentanamide (CID 170703404) is 5-ethoxy-N-[3-methyl-3-(3,3,4-trimethylpentoxy)pentyl]pentanamide.
What is the SMILES notation for 5-ethoxy-N-[3-methyl-3-(3,3,4-trimethylpentoxy)pentyl]pentanamide?
The canonical SMILES for 5-ethoxy-N-[3-methyl-3-(3,3,4-trimethylpentoxy)pentyl]pentanamide is CCOCCCCC(=O)NCCC(C)(CC)OCCC(C)(C)C(C)C.
What is the InChIKey of 5-ethoxy-N-[3-methyl-3-(3,3,4-trimethylpentoxy)pentyl]pentanamide?
The InChIKey is RSZCHTLPTFEPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H43NO3/c1-8-21(7,25-17-14-20(5,6)18(3)4)13-15-22-19(23)12-10-11-16-24-9-2/h18H,8-17H2,1-7H3,(H,22,23).
What are the key properties of 5-ethoxy-N-[3-methyl-3-(3,3,4-trimethylpentoxy)pentyl]pentanamide?
5-ethoxy-N-[3-methyl-3-(3,3,4-trimethylpentoxy)pentyl]pentanamide has a molecular weight of 357.58 g/mol, XLogP of 4.96, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-N-[3-methyl-3-(3,3,4-trimethylpentoxy)pentyl]pentanamide is sourced from PubChem (CID 170703404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).