N-(cyanomethyl)-2-[[(1R)-1-cycloheptylethyl]amino]acetamide

C13H23N3O — CID 81393576

IUPACN-(cyanomethyl)-2-[[(1R)-1-cycloheptylethyl]amino]acetamide
SMILESC[C@@H](NCC(=O)NCC#N)C1CCCCCC1
InChIInChI=1S/C13H23N3O/c1-11(12-6-4-2-3-5-7-12)16-10-13(17)15-9-8-14/h11-12,16H,2-7,9-10H2,1H3,(H,15,17)/t11-/m1/s1
InChIKeyVABHEYRGDMZKOK-LLVKDONJSA-N
MW237.35 g/mol
LogP1.57
Rot. Bonds5

About N-(cyanomethyl)-2-[[(1R)-1-cycloheptylethyl]amino]acetamide

N-(cyanomethyl)-2-[[(1R)-1-cycloheptylethyl]amino]acetamide (PubChem CID 81393576) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-(cyanomethyl)-2-[[(1R)-1-cycloheptylethyl]amino]acetamide.

Molecular Properties

Compound NameN-(cyanomethyl)-2-[[(1R)-1-cycloheptylethyl]amino]acetamide
PubChem CID81393576
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-(cyanomethyl)-2-[[(1R)-1-cycloheptylethyl]amino]acetamide
SMILESC[C@@H](NCC(=O)NCC#N)C1CCCCCC1
InChIInChI=1S/C13H23N3O/c1-11(12-6-4-2-3-5-7-12)16-10-13(17)15-9-8-14/h11-12,16H,2-7,9-10H2,1H3,(H,15,17)/t11-/m1/s1
InChIKeyVABHEYRGDMZKOK-LLVKDONJSA-N
XLogP1.57
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(cyanomethyl)-2-(1-cyclohexylethylamino)acetamide
CID 62407707
2-[[(1R)-1-cyclohexylethyl]amino]-N-ethylacetamide
CID 81385685
2-[[(1R)-1-cycloheptylethyl]amino]-N-propylacetamide
CID 81393570
2-[[(1R)-1-cyclohexylethyl]amino]acetonitrile
CID 81385869
2-[[(1S)-1-cycloheptylethyl]amino]-N-(2-methoxyethyl)acetamide
CID 81392388
2-[[(1R)-1-cycloheptylethyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 81393575
N-butyl-2-[[(1R)-1-cyclohexylethyl]amino]acetamide
CID 81384625
2-(1-cyclohexylethylamino)-N-prop-2-enylacetamide
CID 115903241
N-(cyanomethyl)-2-(cyclohexylamino)acetamide
CID 28565070
N-carbamoyl-2-[[(1R)-1-cycloheptylethyl]amino]acetamide
CID 81393673
2-[[(1R)-1-cyclopentylethyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 81388594
N-tert-butyl-2-[[(1R)-1-cycloheptylethyl]amino]acetamide
CID 81393192

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-2-[[(1R)-1-cycloheptylethyl]amino]acetamide?
The IUPAC name of N-(cyanomethyl)-2-[[(1R)-1-cycloheptylethyl]amino]acetamide (CID 81393576) is N-(cyanomethyl)-2-[[(1R)-1-cycloheptylethyl]amino]acetamide.
What is the SMILES notation for N-(cyanomethyl)-2-[[(1R)-1-cycloheptylethyl]amino]acetamide?
The canonical SMILES for N-(cyanomethyl)-2-[[(1R)-1-cycloheptylethyl]amino]acetamide is C[C@@H](NCC(=O)NCC#N)C1CCCCCC1.
What is the InChIKey of N-(cyanomethyl)-2-[[(1R)-1-cycloheptylethyl]amino]acetamide?
The InChIKey is VABHEYRGDMZKOK-LLVKDONJSA-N. The full InChI is InChI=1S/C13H23N3O/c1-11(12-6-4-2-3-5-7-12)16-10-13(17)15-9-8-14/h11-12,16H,2-7,9-10H2,1H3,(H,15,17)/t11-/m1/s1.
What are the key properties of N-(cyanomethyl)-2-[[(1R)-1-cycloheptylethyl]amino]acetamide?
N-(cyanomethyl)-2-[[(1R)-1-cycloheptylethyl]amino]acetamide has a molecular weight of 237.35 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-2-[[(1R)-1-cycloheptylethyl]amino]acetamide is sourced from PubChem (CID 81393576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).