N-(1-cyanopropan-2-yl)-N-methyldodecanamide

C17H32N2O — CID 63296980

IUPACN-(1-cyanopropan-2-yl)-N-methyldodecanamide
SMILESCCCCCCCCCCCC(=O)N(C)C(C)CC#N
InChIInChI=1S/C17H32N2O/c1-4-5-6-7-8-9-10-11-12-13-17(20)19(3)16(2)14-15-18/h16H,4-14H2,1-3H3
InChIKeyVQKFQAPPLBLDDX-UHFFFAOYSA-N
MW280.46 g/mol
LogP4.67
Rot. Bonds12

About N-(1-cyanopropan-2-yl)-N-methyldodecanamide

N-(1-cyanopropan-2-yl)-N-methyldodecanamide (PubChem CID 63296980) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is N-(1-cyanopropan-2-yl)-N-methyldodecanamide.

Molecular Properties

Compound NameN-(1-cyanopropan-2-yl)-N-methyldodecanamide
PubChem CID63296980
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC NameN-(1-cyanopropan-2-yl)-N-methyldodecanamide
SMILESCCCCCCCCCCCC(=O)N(C)C(C)CC#N
InChIInChI=1S/C17H32N2O/c1-4-5-6-7-8-9-10-11-12-13-17(20)19(3)16(2)14-15-18/h16H,4-14H2,1-3H3
InChIKeyVQKFQAPPLBLDDX-UHFFFAOYSA-N
XLogP4.67
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-(1-cyanopropan-2-yl)-N-methylbutanamide
CID 63308494
ethane;N-methyl-N-propan-2-ylnonanamide
CID 142045586
N-(4-aminobutan-2-yl)-N-methylheptanamide
CID 114751924
2-[heptanoyl(methyl)amino]propanoic acid
CID 62626215
(2S)-2-[methyl(octadecanoyl)amino]propanoic acid
CID 20689915
N-(cyanomethyl)-N-propan-2-yldecanamide
CID 65449531
N-(2-cyanopropyl)-N-methylheptanamide
CID 115593392
N-(1-cyanopropan-2-yl)-N-methyl-2-methylsulfonylacetamide
CID 63297028
N-(1-amino-1-sulfanylidenepropan-2-yl)-N-methylnonanamide
CID 65448406
N,N-dimethyldecanamide;N,N-dimethyloctanamide
CID 155099591
henicosanoyl cyanide
CID 54273514
N-decanoyl-N-methyldecanamide
CID 141076390

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanopropan-2-yl)-N-methyldodecanamide?
The IUPAC name of N-(1-cyanopropan-2-yl)-N-methyldodecanamide (CID 63296980) is N-(1-cyanopropan-2-yl)-N-methyldodecanamide.
What is the SMILES notation for N-(1-cyanopropan-2-yl)-N-methyldodecanamide?
The canonical SMILES for N-(1-cyanopropan-2-yl)-N-methyldodecanamide is CCCCCCCCCCCC(=O)N(C)C(C)CC#N.
What is the InChIKey of N-(1-cyanopropan-2-yl)-N-methyldodecanamide?
The InChIKey is VQKFQAPPLBLDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-4-5-6-7-8-9-10-11-12-13-17(20)19(3)16(2)14-15-18/h16H,4-14H2,1-3H3.
What are the key properties of N-(1-cyanopropan-2-yl)-N-methyldodecanamide?
N-(1-cyanopropan-2-yl)-N-methyldodecanamide has a molecular weight of 280.46 g/mol, XLogP of 4.67, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanopropan-2-yl)-N-methyldodecanamide is sourced from PubChem (CID 63296980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).