N-(cyanomethyl)-N-propan-2-yldecanamide

C15H28N2O — CID 65449531

IUPACN-(cyanomethyl)-N-propan-2-yldecanamide
SMILESCCCCCCCCCC(=O)N(CC#N)C(C)C
InChIInChI=1S/C15H28N2O/c1-4-5-6-7-8-9-10-11-15(18)17(13-12-16)14(2)3/h14H,4-11,13H2,1-3H3
InChIKeyZFTDOGQTHJWGRL-UHFFFAOYSA-N
MW252.40 g/mol
LogP3.89
Rot. Bonds10

About N-(cyanomethyl)-N-propan-2-yldecanamide

N-(cyanomethyl)-N-propan-2-yldecanamide (PubChem CID 65449531) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is N-(cyanomethyl)-N-propan-2-yldecanamide.

Molecular Properties

Compound NameN-(cyanomethyl)-N-propan-2-yldecanamide
PubChem CID65449531
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC NameN-(cyanomethyl)-N-propan-2-yldecanamide
SMILESCCCCCCCCCC(=O)N(CC#N)C(C)C
InChIInChI=1S/C15H28N2O/c1-4-5-6-7-8-9-10-11-15(18)17(13-12-16)14(2)3/h14H,4-11,13H2,1-3H3
InChIKeyZFTDOGQTHJWGRL-UHFFFAOYSA-N
XLogP3.89
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromoethyl)-N-propan-2-ylnonanamide
CID 80665371
N-(1-cyanopropan-2-yl)-N-methyldodecanamide
CID 63296980
N-(2-amino-2-hydroxyiminoethyl)-N-propan-2-yloctanamide
CID 77044667
henicosanoyl cyanide
CID 54273514
cobalt;N-hydroxy-N-propan-2-yldecanamide
CID 88603876
ethane;N-methyl-N-propan-2-ylnonanamide
CID 142045586
N-ethyl-N-(1-hydroxyethyl)hexanamide
CID 174417992
N,N-bis(2-cyanoethyl)dodecanamide
CID 3396127
N-(3-amino-3-hydroxyiminopropyl)-N-propan-2-yldecanamide
CID 77069041
N-(2-cyanopropyl)-N-methylheptanamide
CID 115593392
(2S)-2-[2-hydroxyethyl(tetradecanoyl)amino]propanoic acid
CID 54563283
N-[2-(2-bromoethoxy)ethyl]-N-propan-2-yloctanamide
CID 114276370

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-N-propan-2-yldecanamide?
The IUPAC name of N-(cyanomethyl)-N-propan-2-yldecanamide (CID 65449531) is N-(cyanomethyl)-N-propan-2-yldecanamide.
What is the SMILES notation for N-(cyanomethyl)-N-propan-2-yldecanamide?
The canonical SMILES for N-(cyanomethyl)-N-propan-2-yldecanamide is CCCCCCCCCC(=O)N(CC#N)C(C)C.
What is the InChIKey of N-(cyanomethyl)-N-propan-2-yldecanamide?
The InChIKey is ZFTDOGQTHJWGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-4-5-6-7-8-9-10-11-15(18)17(13-12-16)14(2)3/h14H,4-11,13H2,1-3H3.
What are the key properties of N-(cyanomethyl)-N-propan-2-yldecanamide?
N-(cyanomethyl)-N-propan-2-yldecanamide has a molecular weight of 252.40 g/mol, XLogP of 3.89, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-N-propan-2-yldecanamide is sourced from PubChem (CID 65449531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).