(2R)-N-(1-cyanocyclopropyl)-2-cycloheptyloxypropanamide

C14H22N2O2 — CID 97063618

IUPAC(2R)-N-(1-cyanocyclopropyl)-2-cycloheptyloxypropanamide
SMILESC[C@@H](OC1CCCCCC1)C(=O)NC1(C#N)CC1
InChIInChI=1S/C14H22N2O2/c1-11(13(17)16-14(10-15)8-9-14)18-12-6-4-2-3-5-7-12/h11-12H,2-9H2,1H3,(H,16,17)/t11-/m1/s1
InChIKeyWRMIXIJGDVENRO-LLVKDONJSA-N
MW250.34 g/mol
LogP2.29
Rot. Bonds4

About (2R)-N-(1-cyanocyclopropyl)-2-cycloheptyloxypropanamide

(2R)-N-(1-cyanocyclopropyl)-2-cycloheptyloxypropanamide (PubChem CID 97063618) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is (2R)-N-(1-cyanocyclopropyl)-2-cycloheptyloxypropanamide.

Molecular Properties

Compound Name(2R)-N-(1-cyanocyclopropyl)-2-cycloheptyloxypropanamide
PubChem CID97063618
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name(2R)-N-(1-cyanocyclopropyl)-2-cycloheptyloxypropanamide
SMILESC[C@@H](OC1CCCCCC1)C(=O)NC1(C#N)CC1
InChIInChI=1S/C14H22N2O2/c1-11(13(17)16-14(10-15)8-9-14)18-12-6-4-2-3-5-7-12/h11-12H,2-9H2,1H3,(H,16,17)/t11-/m1/s1
InChIKeyWRMIXIJGDVENRO-LLVKDONJSA-N
XLogP2.29
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyanocyclohexyl)-2-methoxypropanamide
CID 112685947
N-(1-cyanocyclopropyl)-2-fluoro-3-methylbutanamide
CID 130694532
2-bromo-N-(1-cyanocycloheptyl)propanamide
CID 107903353
(2S)-2-amino-N-(1-cyanocyclopentyl)-2-cyclohexylacetamide
CID 70338332
[1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 2-(1,1-dioxothiolan-3-yl)acetate
CID 55405600
N-(1-cyanocycloheptyl)-2,2-difluoroacetamide
CID 103513731
N-(3-aminobutyl)-2-cycloheptyloxypropanamide
CID 119498510
[(2S)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 4-fluorobenzoate
CID 7789501
[1-[(1-cyanocyclobutyl)amino]-1-oxopropan-2-yl] spiro[1,3-dithiolane-2,8'-bicyclo[3.2.1]octane]-3'-carboxylate
CID 167772565
[(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 2-chloro-4,5-difluorobenzoate
CID 8753130
N-(1-cyanocyclooctyl)cyclohexanecarboxamide
CID 54904581
1-(1-cyanocyclooctyl)-3-propan-2-ylurea
CID 61124743

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1-cyanocyclopropyl)-2-cycloheptyloxypropanamide?
The IUPAC name of (2R)-N-(1-cyanocyclopropyl)-2-cycloheptyloxypropanamide (CID 97063618) is (2R)-N-(1-cyanocyclopropyl)-2-cycloheptyloxypropanamide.
What is the SMILES notation for (2R)-N-(1-cyanocyclopropyl)-2-cycloheptyloxypropanamide?
The canonical SMILES for (2R)-N-(1-cyanocyclopropyl)-2-cycloheptyloxypropanamide is C[C@@H](OC1CCCCCC1)C(=O)NC1(C#N)CC1.
What is the InChIKey of (2R)-N-(1-cyanocyclopropyl)-2-cycloheptyloxypropanamide?
The InChIKey is WRMIXIJGDVENRO-LLVKDONJSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-11(13(17)16-14(10-15)8-9-14)18-12-6-4-2-3-5-7-12/h11-12H,2-9H2,1H3,(H,16,17)/t11-/m1/s1.
What are the key properties of (2R)-N-(1-cyanocyclopropyl)-2-cycloheptyloxypropanamide?
(2R)-N-(1-cyanocyclopropyl)-2-cycloheptyloxypropanamide has a molecular weight of 250.34 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(1-cyanocyclopropyl)-2-cycloheptyloxypropanamide is sourced from PubChem (CID 97063618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).