N-(cyanomethyl)-2-(1-cyclohexylethylamino)acetamide

C12H21N3O — CID 62407707

IUPACN-(cyanomethyl)-2-(1-cyclohexylethylamino)acetamide
SMILESCC(NCC(=O)NCC#N)C1CCCCC1
InChIInChI=1S/C12H21N3O/c1-10(11-5-3-2-4-6-11)15-9-12(16)14-8-7-13/h10-11,15H,2-6,8-9H2,1H3,(H,14,16)
InChIKeyIUQHQKVHFZYGTO-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.18
Rot. Bonds5

About N-(cyanomethyl)-2-(1-cyclohexylethylamino)acetamide

N-(cyanomethyl)-2-(1-cyclohexylethylamino)acetamide (PubChem CID 62407707) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-(cyanomethyl)-2-(1-cyclohexylethylamino)acetamide.

Molecular Properties

Compound NameN-(cyanomethyl)-2-(1-cyclohexylethylamino)acetamide
PubChem CID62407707
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-(cyanomethyl)-2-(1-cyclohexylethylamino)acetamide
SMILESCC(NCC(=O)NCC#N)C1CCCCC1
InChIInChI=1S/C12H21N3O/c1-10(11-5-3-2-4-6-11)15-9-12(16)14-8-7-13/h10-11,15H,2-6,8-9H2,1H3,(H,14,16)
InChIKeyIUQHQKVHFZYGTO-UHFFFAOYSA-N
XLogP1.18
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.18
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-[[(1R)-1-cycloheptylethyl]amino]acetamide
CID 81393576
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
N-butyl-2-[[(1R)-1-cyclohexylethyl]amino]acetamide
CID 81384625
2-[[(1R)-1-cycloheptylethyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 81393575
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-(1-cyclohexylethylamino)acetamide?
The IUPAC name of N-(cyanomethyl)-2-(1-cyclohexylethylamino)acetamide (CID 62407707) is N-(cyanomethyl)-2-(1-cyclohexylethylamino)acetamide.
What is the SMILES notation for N-(cyanomethyl)-2-(1-cyclohexylethylamino)acetamide?
The canonical SMILES for N-(cyanomethyl)-2-(1-cyclohexylethylamino)acetamide is CC(NCC(=O)NCC#N)C1CCCCC1.
What is the InChIKey of N-(cyanomethyl)-2-(1-cyclohexylethylamino)acetamide?
The InChIKey is IUQHQKVHFZYGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-10(11-5-3-2-4-6-11)15-9-12(16)14-8-7-13/h10-11,15H,2-6,8-9H2,1H3,(H,14,16).
What are the key properties of N-(cyanomethyl)-2-(1-cyclohexylethylamino)acetamide?
N-(cyanomethyl)-2-(1-cyclohexylethylamino)acetamide has a molecular weight of 223.32 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-2-(1-cyclohexylethylamino)acetamide is sourced from PubChem (CID 62407707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).