ethane;N-hexyl-3-[2-(3-methylbutoxy)ethoxy]propanamide;molecular hydrogen

C18H41NO3 — CID 170613092

IUPACethane;N-hexyl-3-[2-(3-methylbutoxy)ethoxy]propanamide;molecular hydrogen
SMILESCC.CCCCCCNC(=O)CCOCCOCCC(C)C.[H][H]
InChIInChI=1S/C16H33NO3.C2H6.H2/c1-4-5-6-7-10-17-16(18)9-12-20-14-13-19-11-8-15(2)3;1-2;/h15H,4-14H2,1-3H3,(H,17,18);1-2H3;1H
InChIKeyRGCIRODEASLAEL-UHFFFAOYSA-N
MW319.53 g/mol
LogP4.42
Rot. Bonds14

About ethane;N-hexyl-3-[2-(3-methylbutoxy)ethoxy]propanamide;molecular hydrogen

ethane;N-hexyl-3-[2-(3-methylbutoxy)ethoxy]propanamide;molecular hydrogen (PubChem CID 170613092) has the molecular formula C18H41NO3 and a molecular weight of 319.53 g/mol. Its IUPAC name is ethane;N-hexyl-3-[2-(3-methylbutoxy)ethoxy]propanamide;molecular hydrogen.

Molecular Properties

Compound Nameethane;N-hexyl-3-[2-(3-methylbutoxy)ethoxy]propanamide;molecular hydrogen
PubChem CID170613092
Molecular FormulaC18H41NO3
Molecular Weight319.53 g/mol
Exact Mass319.31
IUPAC Nameethane;N-hexyl-3-[2-(3-methylbutoxy)ethoxy]propanamide;molecular hydrogen
SMILESCC.CCCCCCNC(=O)CCOCCOCCC(C)C.[H][H]
InChIInChI=1S/C16H33NO3.C2H6.H2/c1-4-5-6-7-10-17-16(18)9-12-20-14-13-19-11-8-15(2)3;1-2;/h15H,4-14H2,1-3H3,(H,17,18);1-2H3;1H
InChIKeyRGCIRODEASLAEL-UHFFFAOYSA-N
XLogP4.42
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.53
LogP ≤ 54.42
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

N-decyl-4-methylpentanamide;N-dodecyl-4-methylpentanamide;N-icosyl-4-methylpentanamide;4-methyl-N-nonylpentanamide;4-methyl-N-octadecylpentanamide;4-methyl-N-pentadecylpentanamide;4-methyl-N-tetradecylpentanamide;4-methyl-N-tridecylpentanamide;4-methyl-N-undecylpentanamide
CID 159335850
ethene;N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]butanamide;molecular hydrogen
CID 176934514
N-(3-methylbutyl)-3-(2-propoxyethoxy)propanamide
CID 167117369
2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]-N-(4-methylpentyl)acetamide
CID 171838407
N-hexyl-6-methylheptanamide
CID 141197249
ethane;molecular hydrogen;N-pentyltridecanamide
CID 142045594
N-(2-methoxyethyl)-3-(3-methylbutoxy)propanamide
CID 166039715
ethane;N-(3-methylbutyl)octadecanamide
CID 172601405
N'-(3-butoxypropyl)-N-heptylbutanediamide
CID 5116303
N-butyl-2-[2-(4-methylpentoxy)ethoxy]acetamide
CID 156795089
2-(2-butoxyethoxy)-N-(4-methylpentyl)acetamide
CID 148767306
5-ethoxy-N-[2-(3-methylbutoxy)ethyl]pentanamide;molecular hydrogen
CID 177338046

Frequently Asked Questions

What is the IUPAC name of ethane;N-hexyl-3-[2-(3-methylbutoxy)ethoxy]propanamide;molecular hydrogen?
The IUPAC name of ethane;N-hexyl-3-[2-(3-methylbutoxy)ethoxy]propanamide;molecular hydrogen (CID 170613092) is ethane;N-hexyl-3-[2-(3-methylbutoxy)ethoxy]propanamide;molecular hydrogen.
What is the SMILES notation for ethane;N-hexyl-3-[2-(3-methylbutoxy)ethoxy]propanamide;molecular hydrogen?
The canonical SMILES for ethane;N-hexyl-3-[2-(3-methylbutoxy)ethoxy]propanamide;molecular hydrogen is CC.CCCCCCNC(=O)CCOCCOCCC(C)C.[H][H].
What is the InChIKey of ethane;N-hexyl-3-[2-(3-methylbutoxy)ethoxy]propanamide;molecular hydrogen?
The InChIKey is RGCIRODEASLAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO3.C2H6.H2/c1-4-5-6-7-10-17-16(18)9-12-20-14-13-19-11-8-15(2)3;1-2;/h15H,4-14H2,1-3H3,(H,17,18);1-2H3;1H.
What are the key properties of ethane;N-hexyl-3-[2-(3-methylbutoxy)ethoxy]propanamide;molecular hydrogen?
ethane;N-hexyl-3-[2-(3-methylbutoxy)ethoxy]propanamide;molecular hydrogen has a molecular weight of 319.53 g/mol, XLogP of 4.42, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-hexyl-3-[2-(3-methylbutoxy)ethoxy]propanamide;molecular hydrogen is sourced from PubChem (CID 170613092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).