(2R)-2-cyano-N-cyclohexyl-3-oxo-4-(2-oxoazocan-1-yl)butanamide

C18H27N3O3 — CID 98361614

IUPAC(2R)-2-cyano-N-cyclohexyl-3-oxo-4-(2-oxoazocan-1-yl)butanamide
SMILESN#C[C@H](C(=O)CN1CCCCCCC1=O)C(=O)NC1CCCCC1
InChIInChI=1S/C18H27N3O3/c19-12-15(18(24)20-14-8-4-3-5-9-14)16(22)13-21-11-7-2-1-6-10-17(21)23/h14-15H,1-11,13H2,(H,20,24)/t15-/m1/s1
InChIKeyLTUTUFXHCNZSEQ-OAHLLOKOSA-N
MW333.43 g/mol
LogP1.94
Rot. Bonds5

About (2R)-2-cyano-N-cyclohexyl-3-oxo-4-(2-oxoazocan-1-yl)butanamide

(2R)-2-cyano-N-cyclohexyl-3-oxo-4-(2-oxoazocan-1-yl)butanamide (PubChem CID 98361614) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is (2R)-2-cyano-N-cyclohexyl-3-oxo-4-(2-oxoazocan-1-yl)butanamide.

Molecular Properties

Compound Name(2R)-2-cyano-N-cyclohexyl-3-oxo-4-(2-oxoazocan-1-yl)butanamide
PubChem CID98361614
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name(2R)-2-cyano-N-cyclohexyl-3-oxo-4-(2-oxoazocan-1-yl)butanamide
SMILESN#C[C@H](C(=O)CN1CCCCCCC1=O)C(=O)NC1CCCCC1
InChIInChI=1S/C18H27N3O3/c19-12-15(18(24)20-14-8-4-3-5-9-14)16(22)13-21-11-7-2-1-6-10-17(21)23/h14-15H,1-11,13H2,(H,20,24)/t15-/m1/s1
InChIKeyLTUTUFXHCNZSEQ-OAHLLOKOSA-N
XLogP1.94
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze (2R)-2-cyano-N-cyclohexyl-3-oxo-4-(2-oxoazocan-1-yl)butanamide with MolForge

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Related Compounds

(2R)-2-cyano-N-cyclohexyl-3-oxo-3-[4-(2-oxopiperidin-1-yl)phenyl]propanamide
CID 98450066
N-cyclooctyl-2-(2-oxopyrrolidin-1-yl)acetamide
CID 39954322
1-(2-cyclohexyl-2-oxoethyl)azepan-2-one
CID 104751187
(2R)-2-cyano-N,3-dicyclohexyl-3-oxopropanamide
CID 94189765
2-cyano-N,3-dicyclohexyl-3-oxopropanamide
CID 47052901
N-cyclopropyl-2-oxo-2-[2-[2-(2-oxoazocan-1-yl)acetyl]hydrazinyl]acetamide
CID 55756771
N-[2-(cycloheptylamino)ethyl]-2-(2-oxoazocan-1-yl)acetamide;hydrochloride
CID 119621354
N-(4-aminocyclohexyl)-2-(2-oxoazocan-1-yl)acetamide;hydrochloride
CID 119478869
2-(2-oxoazepan-1-yl)-N-pyrrolidin-3-ylacetamide
CID 119451455
N-[(1S,2S)-2-hydroxycyclohexyl]-2-(2-oxoazepan-1-yl)acetamide
CID 104956817
(2R)-2-cyano-N-cyclopentyl-3,6-dioxo-6-phenylhexanamide
CID 98200987
2-cyano-N-cyclohexyl-3-(4-fluorophenyl)-3-oxopropanamide
CID 51086390

Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyano-N-cyclohexyl-3-oxo-4-(2-oxoazocan-1-yl)butanamide?
The IUPAC name of (2R)-2-cyano-N-cyclohexyl-3-oxo-4-(2-oxoazocan-1-yl)butanamide (CID 98361614) is (2R)-2-cyano-N-cyclohexyl-3-oxo-4-(2-oxoazocan-1-yl)butanamide.
What is the SMILES notation for (2R)-2-cyano-N-cyclohexyl-3-oxo-4-(2-oxoazocan-1-yl)butanamide?
The canonical SMILES for (2R)-2-cyano-N-cyclohexyl-3-oxo-4-(2-oxoazocan-1-yl)butanamide is N#C[C@H](C(=O)CN1CCCCCCC1=O)C(=O)NC1CCCCC1.
What is the InChIKey of (2R)-2-cyano-N-cyclohexyl-3-oxo-4-(2-oxoazocan-1-yl)butanamide?
The InChIKey is LTUTUFXHCNZSEQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H27N3O3/c19-12-15(18(24)20-14-8-4-3-5-9-14)16(22)13-21-11-7-2-1-6-10-17(21)23/h14-15H,1-11,13H2,(H,20,24)/t15-/m1/s1.
What are the key properties of (2R)-2-cyano-N-cyclohexyl-3-oxo-4-(2-oxoazocan-1-yl)butanamide?
(2R)-2-cyano-N-cyclohexyl-3-oxo-4-(2-oxoazocan-1-yl)butanamide has a molecular weight of 333.43 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyano-N-cyclohexyl-3-oxo-4-(2-oxoazocan-1-yl)butanamide is sourced from PubChem (CID 98361614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).