N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]pent-4-ynamide

C14H25NO3 — CID 176933394

IUPACN-[2-[2-(3-methylbutoxy)ethoxy]ethyl]pent-4-ynamide
SMILESC#CCCC(=O)NCCOCCOCCC(C)C
InChIInChI=1S/C14H25NO3/c1-4-5-6-14(16)15-8-10-18-12-11-17-9-7-13(2)3/h1,13H,5-12H2,2-3H3,(H,15,16)
InChIKeyXTPQSVAZPVHATO-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.60
Rot. Bonds11

About N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]pent-4-ynamide

N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]pent-4-ynamide (PubChem CID 176933394) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]pent-4-ynamide.

Molecular Properties

Compound NameN-[2-[2-(3-methylbutoxy)ethoxy]ethyl]pent-4-ynamide
PubChem CID176933394
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC NameN-[2-[2-(3-methylbutoxy)ethoxy]ethyl]pent-4-ynamide
SMILESC#CCCC(=O)NCCOCCOCCC(C)C
InChIInChI=1S/C14H25NO3/c1-4-5-6-14(16)15-8-10-18-12-11-17-9-7-13(2)3/h1,13H,5-12H2,2-3H3,(H,15,16)
InChIKeyXTPQSVAZPVHATO-UHFFFAOYSA-N
XLogP1.60
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-[2-(2-prop-2-ynoxyethoxy)ethyl]pentanamide
CID 156733351
ethene;N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]butanamide;molecular hydrogen
CID 176934514
ethane;N-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 171565273
2-amino-N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]acetamide;ethane
CID 155748733
5-hydroxy-N-[2-(3-methylbutoxy)ethyl]pentanamide
CID 79209495
N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]-6-oxooctanamide
CID 162766798
4-methyl-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide
CID 171803932
4-methyl-N-[2-(2-propan-2-yloxyethoxy)ethyl]pentanamide
CID 176759210
N-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-methylpentanamide
CID 162756086
N-(2-methoxyethyl)-3-(3-methylbutoxy)propanamide
CID 166039715
4-(methylamino)-N-[2-(3-methylbutoxy)ethyl]butanamide;hydrochloride
CID 119741270
N-[2-(3-methylbutoxy)ethyl]but-3-yn-1-amine
CID 63656269

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]pent-4-ynamide?
The IUPAC name of N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]pent-4-ynamide (CID 176933394) is N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]pent-4-ynamide.
What is the SMILES notation for N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]pent-4-ynamide?
The canonical SMILES for N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]pent-4-ynamide is C#CCCC(=O)NCCOCCOCCC(C)C.
What is the InChIKey of N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]pent-4-ynamide?
The InChIKey is XTPQSVAZPVHATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-4-5-6-14(16)15-8-10-18-12-11-17-9-7-13(2)3/h1,13H,5-12H2,2-3H3,(H,15,16).
What are the key properties of N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]pent-4-ynamide?
N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]pent-4-ynamide has a molecular weight of 255.36 g/mol, XLogP of 1.60, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]pent-4-ynamide is sourced from PubChem (CID 176933394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).