cis-(1R,2S)-2-acetamido-N-[(S)-cyano(cyclopropyl)methyl]cyclohexane-1-carboxamide

C14H21N3O2 — CID 20740239

IUPACcis-(1R,2S)-2-acetamido-N-[(S)-cyano(cyclopropyl)methyl]cyclohexane-1-carboxamide
SMILESCC(=O)N[C@H]1CCCC[C@H]1C(=O)N[C@H](C#N)C1CC1
InChIInChI=1S/C14H21N3O2/c1-9(18)16-12-5-3-2-4-11(12)14(19)17-13(8-15)10-6-7-10/h10-13H,2-7H2,1H3,(H,16,18)(H,17,19)/t11-,12+,13-/m1/s1
InChIKeyGWXMBISIRQUQJV-FRRDWIJNSA-N
MW263.34 g/mol
LogP1.10
Rot. Bonds4

About cis-(1R,2S)-2-acetamido-N-[(S)-cyano(cyclopropyl)methyl]cyclohexane-1-carboxamide

cis-(1R,2S)-2-acetamido-N-[(S)-cyano(cyclopropyl)methyl]cyclohexane-1-carboxamide (PubChem CID 20740239) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is cis-(1R,2S)-2-acetamido-N-[(S)-cyano(cyclopropyl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-2-acetamido-N-[(S)-cyano(cyclopropyl)methyl]cyclohexane-1-carboxamide
PubChem CID20740239
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Namecis-(1R,2S)-2-acetamido-N-[(S)-cyano(cyclopropyl)methyl]cyclohexane-1-carboxamide
SMILESCC(=O)N[C@H]1CCCC[C@H]1C(=O)N[C@H](C#N)C1CC1
InChIInChI=1S/C14H21N3O2/c1-9(18)16-12-5-3-2-4-11(12)14(19)17-13(8-15)10-6-7-10/h10-13H,2-7H2,1H3,(H,16,18)(H,17,19)/t11-,12+,13-/m1/s1
InChIKeyGWXMBISIRQUQJV-FRRDWIJNSA-N
XLogP1.10
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-acetamido-N-[(S)-cyano(cyclopropyl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-2-acetamido-N-[(S)-cyano(cyclopropyl)methyl]cyclohexane-1-carboxamide (CID 20740239) is cis-(1R,2S)-2-acetamido-N-[(S)-cyano(cyclopropyl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-2-acetamido-N-[(S)-cyano(cyclopropyl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-2-acetamido-N-[(S)-cyano(cyclopropyl)methyl]cyclohexane-1-carboxamide is CC(=O)N[C@H]1CCCC[C@H]1C(=O)N[C@H](C#N)C1CC1.
What is the InChIKey of cis-(1R,2S)-2-acetamido-N-[(S)-cyano(cyclopropyl)methyl]cyclohexane-1-carboxamide?
The InChIKey is GWXMBISIRQUQJV-FRRDWIJNSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-9(18)16-12-5-3-2-4-11(12)14(19)17-13(8-15)10-6-7-10/h10-13H,2-7H2,1H3,(H,16,18)(H,17,19)/t11-,12+,13-/m1/s1.
What are the key properties of cis-(1R,2S)-2-acetamido-N-[(S)-cyano(cyclopropyl)methyl]cyclohexane-1-carboxamide?
cis-(1R,2S)-2-acetamido-N-[(S)-cyano(cyclopropyl)methyl]cyclohexane-1-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-acetamido-N-[(S)-cyano(cyclopropyl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 20740239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).