N-(2-cyanoethyl)-2-(hexan-2-ylamino)acetamide

C11H21N3O — CID 62199849

IUPACN-(2-cyanoethyl)-2-(hexan-2-ylamino)acetamide
SMILESCCCCC(C)NCC(=O)NCCC#N
InChIInChI=1S/C11H21N3O/c1-3-4-6-10(2)14-9-11(15)13-8-5-7-12/h10,14H,3-6,8-9H2,1-2H3,(H,13,15)
InChIKeyQVSMDYBIAZMNRZ-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.18
Rot. Bonds8

About N-(2-cyanoethyl)-2-(hexan-2-ylamino)acetamide

N-(2-cyanoethyl)-2-(hexan-2-ylamino)acetamide (PubChem CID 62199849) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-(hexan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-(hexan-2-ylamino)acetamide
PubChem CID62199849
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC NameN-(2-cyanoethyl)-2-(hexan-2-ylamino)acetamide
SMILESCCCCC(C)NCC(=O)NCCC#N
InChIInChI=1S/C11H21N3O/c1-3-4-6-10(2)14-9-11(15)13-8-5-7-12/h10,14H,3-6,8-9H2,1-2H3,(H,13,15)
InChIKeyQVSMDYBIAZMNRZ-UHFFFAOYSA-N
XLogP1.18
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(cyanomethyl)-2-(octan-2-ylamino)acetamide
CID 61476793
2-(1-cyanopropan-2-ylamino)-N-propylacetamide
CID 60913977
N-(2-cyanoethyl)-2-(4-phenylbutan-2-ylamino)acetamide
CID 60688303
2-(hexan-2-ylamino)-N-prop-2-enylacetamide
CID 115923519
N-(2-cyanoethyl)-2-ethylhexanamide
CID 62666386
N-(3-methylbutyl)-2-(pentan-2-ylamino)acetamide
CID 60672196
N-(2-cyanoethyl)-2-[1-(4-fluorophenyl)propan-2-ylamino]acetamide
CID 62995123
N-(2-cyanoethyl)butanamide
CID 14899794
2-cyano-N-[(2R)-hexan-2-yl]acetamide
CID 94372249
N-(2-cyanoethyl)-2-(1-thiophen-2-ylpropan-2-ylamino)acetamide
CID 63291377
2-[[(2S)-butan-2-yl]amino]-N-[2-[[2-[[(2R)-butan-2-yl]amino]acetyl]amino]ethyl]acetamide
CID 26058062
N-butyl-2-(1-methoxypropan-2-ylamino)acetamide
CID 60672222

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-(hexan-2-ylamino)acetamide?
The IUPAC name of N-(2-cyanoethyl)-2-(hexan-2-ylamino)acetamide (CID 62199849) is N-(2-cyanoethyl)-2-(hexan-2-ylamino)acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-(hexan-2-ylamino)acetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-(hexan-2-ylamino)acetamide is CCCCC(C)NCC(=O)NCCC#N.
What is the InChIKey of N-(2-cyanoethyl)-2-(hexan-2-ylamino)acetamide?
The InChIKey is QVSMDYBIAZMNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-3-4-6-10(2)14-9-11(15)13-8-5-7-12/h10,14H,3-6,8-9H2,1-2H3,(H,13,15).
What are the key properties of N-(2-cyanoethyl)-2-(hexan-2-ylamino)acetamide?
N-(2-cyanoethyl)-2-(hexan-2-ylamino)acetamide has a molecular weight of 211.31 g/mol, XLogP of 1.18, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-(hexan-2-ylamino)acetamide is sourced from PubChem (CID 62199849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).