N-(2-butoxyethyl)-1-cyanocyclopropane-1-carboxamide

C11H18N2O2 — CID 80592219

IUPACN-(2-butoxyethyl)-1-cyanocyclopropane-1-carboxamide
SMILESCCCCOCCNC(=O)C1(C#N)CC1
InChIInChI=1S/C11H18N2O2/c1-2-3-7-15-8-6-13-10(14)11(9-12)4-5-11/h2-8H2,1H3,(H,13,14)
InChIKeyUBGMULPCUWUBBK-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.22
Rot. Bonds7

About N-(2-butoxyethyl)-1-cyanocyclopropane-1-carboxamide

N-(2-butoxyethyl)-1-cyanocyclopropane-1-carboxamide (PubChem CID 80592219) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is N-(2-butoxyethyl)-1-cyanocyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2-butoxyethyl)-1-cyanocyclopropane-1-carboxamide
PubChem CID80592219
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC NameN-(2-butoxyethyl)-1-cyanocyclopropane-1-carboxamide
SMILESCCCCOCCNC(=O)C1(C#N)CC1
InChIInChI=1S/C11H18N2O2/c1-2-3-7-15-8-6-13-10(14)11(9-12)4-5-11/h2-8H2,1H3,(H,13,14)
InChIKeyUBGMULPCUWUBBK-UHFFFAOYSA-N
XLogP1.22
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.22
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

1-cyano-N-hexylcyclobutane-1-carboxamide
CID 78994999
N-(2-butoxyethyl)-2-(methylamino)acetamide
CID 61175686
N-(2-but-3-enoxyethyl)-1-cyanocyclobutane-1-carboxamide
CID 103855657
1-cyano-N-(2-cyclohexyloxyethyl)cyclopropane-1-carboxamide
CID 80593471
1-cyano-N-(3-methoxypropyl)cyclobutane-1-carboxamide
CID 78994504
1-cyano-N-(2-prop-2-enoxyethyl)cyclohexane-1-carboxamide
CID 113362898
1-cyano-N-(4-methoxybutyl)cyclobutane-1-carboxamide
CID 78994604
2-[(1-cyanocyclopentanecarbonyl)amino]ethyl carbamate
CID 83211898
1-cyano-N-[3-oxo-3-(propylamino)propyl]cyclopentane-1-carboxamide
CID 47354865
N-[2-(2-butoxyethoxy)ethyl]acetamide;ethane
CID 163393772
N-[2-(2-butoxyethoxy)ethyl]propanamide
CID 153105198
1-cyano-N-[3-(cyclopropylmethoxy)propyl]-3-methylcyclobutane-1-carboxamide
CID 103752016

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyethyl)-1-cyanocyclopropane-1-carboxamide?
The IUPAC name of N-(2-butoxyethyl)-1-cyanocyclopropane-1-carboxamide (CID 80592219) is N-(2-butoxyethyl)-1-cyanocyclopropane-1-carboxamide.
What is the SMILES notation for N-(2-butoxyethyl)-1-cyanocyclopropane-1-carboxamide?
The canonical SMILES for N-(2-butoxyethyl)-1-cyanocyclopropane-1-carboxamide is CCCCOCCNC(=O)C1(C#N)CC1.
What is the InChIKey of N-(2-butoxyethyl)-1-cyanocyclopropane-1-carboxamide?
The InChIKey is UBGMULPCUWUBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-2-3-7-15-8-6-13-10(14)11(9-12)4-5-11/h2-8H2,1H3,(H,13,14).
What are the key properties of N-(2-butoxyethyl)-1-cyanocyclopropane-1-carboxamide?
N-(2-butoxyethyl)-1-cyanocyclopropane-1-carboxamide has a molecular weight of 210.28 g/mol, XLogP of 1.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyethyl)-1-cyanocyclopropane-1-carboxamide is sourced from PubChem (CID 80592219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).