N-[2-(2-heptoxyethoxy)ethyl]propanamide

C14H29NO3 — CID 154643004

IUPACN-[2-(2-heptoxyethoxy)ethyl]propanamide
SMILESCCCCCCCOCCOCCNC(=O)CC
InChIInChI=1S/C14H29NO3/c1-3-5-6-7-8-10-17-12-13-18-11-9-15-14(16)4-2/h3-13H2,1-2H3,(H,15,16)
InChIKeyBRJMINFKVMQWIU-UHFFFAOYSA-N
MW259.39 g/mol
LogP2.52
Rot. Bonds13

About N-[2-(2-heptoxyethoxy)ethyl]propanamide

N-[2-(2-heptoxyethoxy)ethyl]propanamide (PubChem CID 154643004) has the molecular formula C14H29NO3 and a molecular weight of 259.39 g/mol. Its IUPAC name is N-[2-(2-heptoxyethoxy)ethyl]propanamide.

Molecular Properties

Compound NameN-[2-(2-heptoxyethoxy)ethyl]propanamide
PubChem CID154643004
Molecular FormulaC14H29NO3
Molecular Weight259.39 g/mol
Exact Mass259.21
IUPAC NameN-[2-(2-heptoxyethoxy)ethyl]propanamide
SMILESCCCCCCCOCCOCCNC(=O)CC
InChIInChI=1S/C14H29NO3/c1-3-5-6-7-8-10-17-12-13-18-11-9-15-14(16)4-2/h3-13H2,1-2H3,(H,15,16)
InChIKeyBRJMINFKVMQWIU-UHFFFAOYSA-N
XLogP2.52
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 52.52
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-[2-(2-butoxyethoxy)ethyl]propanamide
CID 153105198
N-[2-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethoxy]ethyl]pentanamide
CID 167513156
decan-3-one;N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]propanamide;6-(2-propoxyethoxy)hexan-3-one;tridecan-3-one;undecane;undecan-3-one
CID 163571556
2-(2-hexoxyethoxy)ethylcarbamic acid
CID 90014207
N-[2-(4-hydroxybutoxy)ethyl]propanamide
CID 58493145
N-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]decanamide
CID 129058822
N-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-octadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-16-sulfanylhexadecanamide
CID 101129520
N-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]propanamide
CID 122664379
molecular hydrogen;N-(2-propoxyethyl)propanamide
CID 170639851
methyl 4-[2-[2-[2-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butanoate
CID 175294176
N-[2-[2-[2-[2-[2-[2-[2-[2-(butylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxymethyl]propanamide
CID 137465988
N-(2-hydroxyethyl)-2-(2-tridecoxyethoxy)acetamide
CID 100965697

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-heptoxyethoxy)ethyl]propanamide?
The IUPAC name of N-[2-(2-heptoxyethoxy)ethyl]propanamide (CID 154643004) is N-[2-(2-heptoxyethoxy)ethyl]propanamide.
What is the SMILES notation for N-[2-(2-heptoxyethoxy)ethyl]propanamide?
The canonical SMILES for N-[2-(2-heptoxyethoxy)ethyl]propanamide is CCCCCCCOCCOCCNC(=O)CC.
What is the InChIKey of N-[2-(2-heptoxyethoxy)ethyl]propanamide?
The InChIKey is BRJMINFKVMQWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3/c1-3-5-6-7-8-10-17-12-13-18-11-9-15-14(16)4-2/h3-13H2,1-2H3,(H,15,16).
What are the key properties of N-[2-(2-heptoxyethoxy)ethyl]propanamide?
N-[2-(2-heptoxyethoxy)ethyl]propanamide has a molecular weight of 259.39 g/mol, XLogP of 2.52, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-heptoxyethoxy)ethyl]propanamide is sourced from PubChem (CID 154643004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).