N-(4-methyl-1-oxodecan-2-yl)formamide

C12H23NO2 — CID 166695285

IUPACN-(4-methyl-1-oxodecan-2-yl)formamide
SMILESCCCCCCC(C)CC(C=O)NC=O
InChIInChI=1S/C12H23NO2/c1-3-4-5-6-7-11(2)8-12(9-14)13-10-15/h9-12H,3-8H2,1-2H3,(H,13,15)
InChIKeyOIYBTVQSJDYPMA-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.30
Rot. Bonds10

About N-(4-methyl-1-oxodecan-2-yl)formamide

N-(4-methyl-1-oxodecan-2-yl)formamide (PubChem CID 166695285) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is N-(4-methyl-1-oxodecan-2-yl)formamide.

Molecular Properties

Compound NameN-(4-methyl-1-oxodecan-2-yl)formamide
PubChem CID166695285
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC NameN-(4-methyl-1-oxodecan-2-yl)formamide
SMILESCCCCCCC(C)CC(C=O)NC=O
InChIInChI=1S/C12H23NO2/c1-3-4-5-6-7-11(2)8-12(9-14)13-10-15/h9-12H,3-8H2,1-2H3,(H,13,15)
InChIKeyOIYBTVQSJDYPMA-UHFFFAOYSA-N
XLogP2.30
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2R)-octan-2-yl]formamide
CID 5478865
6,8-dimethylhexadecane
CID 91185725
N-(2-methylnonyl)formamide
CID 146433499
(2S)-2-(hydroxyamino)heptanal
CID 143783582
(2S,6S,10S,14S)-2,6,10,14-tetramethylhenicosanal
CID 139263692
(4S)-2,4-dimethylicosane
CID 134952934
(4R,6S)-4,6-dimethyldodecane
CID 162976966
2,4-dimethyltetradecane
CID 53423723
15,19,21-trimethylheptatriacontane
CID 20837834
5,15,17-trimethylpentatriacontane
CID 172565406
9-methyldocosane
CID 22223822
10,20-dimethyltriacontane
CID 91752048

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1-oxodecan-2-yl)formamide?
The IUPAC name of N-(4-methyl-1-oxodecan-2-yl)formamide (CID 166695285) is N-(4-methyl-1-oxodecan-2-yl)formamide.
What is the SMILES notation for N-(4-methyl-1-oxodecan-2-yl)formamide?
The canonical SMILES for N-(4-methyl-1-oxodecan-2-yl)formamide is CCCCCCC(C)CC(C=O)NC=O.
What is the InChIKey of N-(4-methyl-1-oxodecan-2-yl)formamide?
The InChIKey is OIYBTVQSJDYPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-3-4-5-6-7-11(2)8-12(9-14)13-10-15/h9-12H,3-8H2,1-2H3,(H,13,15).
What are the key properties of N-(4-methyl-1-oxodecan-2-yl)formamide?
N-(4-methyl-1-oxodecan-2-yl)formamide has a molecular weight of 213.32 g/mol, XLogP of 2.30, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1-oxodecan-2-yl)formamide is sourced from PubChem (CID 166695285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).