N-[(4-formylcyclohexyl)methyl]-N-[(2-methylpropan-2-yl)oxy]formamide

C13H23NO3 — CID 57247951

IUPACN-[(4-formylcyclohexyl)methyl]-N-[(2-methylpropan-2-yl)oxy]formamide
SMILESCC(C)(C)ON(C=O)CC1CCC(C=O)CC1
InChIInChI=1S/C13H23NO3/c1-13(2,3)17-14(10-16)8-11-4-6-12(9-15)7-5-11/h9-12H,4-8H2,1-3H3
InChIKeyZYTJFOUIMAIXGB-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.18
Rot. Bonds5

About N-[(4-formylcyclohexyl)methyl]-N-[(2-methylpropan-2-yl)oxy]formamide

N-[(4-formylcyclohexyl)methyl]-N-[(2-methylpropan-2-yl)oxy]formamide (PubChem CID 57247951) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-[(4-formylcyclohexyl)methyl]-N-[(2-methylpropan-2-yl)oxy]formamide.

Molecular Properties

Compound NameN-[(4-formylcyclohexyl)methyl]-N-[(2-methylpropan-2-yl)oxy]formamide
PubChem CID57247951
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC NameN-[(4-formylcyclohexyl)methyl]-N-[(2-methylpropan-2-yl)oxy]formamide
SMILESCC(C)(C)ON(C=O)CC1CCC(C=O)CC1
InChIInChI=1S/C13H23NO3/c1-13(2,3)17-14(10-16)8-11-4-6-12(9-15)7-5-11/h9-12H,4-8H2,1-3H3
InChIKeyZYTJFOUIMAIXGB-UHFFFAOYSA-N
XLogP2.18
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(1-aminoazetidin-3-yl)methyl]-N-[(2-methylpropan-2-yl)oxy]formamide
CID 174428308
tert-butyl 2-(4-formylcyclohexyl)acetate
CID 86602219
4-[(4-pentylcyclohexyl)methyl]cyclohexane-1-carbaldehyde
CID 20633982
4-(methylaminomethyl)cyclohexane-1-carbaldehyde
CID 88882125
4-[(4-methylcyclohexyl)methyl]cyclohexane-1-carbaldehyde
CID 88960002
N-[[5-(azidomethyl)oxolan-2-yl]methyl]-N-[(2-methylpropan-2-yl)oxy]formamide
CID 57106441
N-[(2-methylpropan-2-yl)oxy]-N-[[4-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]cyclohexyl]methyl]formamide
CID 87917273
ethane;4-ethylcyclohexane-1-carbaldehyde
CID 145257925
2-(4-formylcyclohexyl)ethyl formate
CID 175526919
1-[(2-methylpropan-2-yl)oxy]piperidine-4-carbaldehyde
CID 57260487
tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-[(4-methylcyclohexyl)methylamino]ethyl]carbamate;4-methylcyclohexane-1-carbaldehyde
CID 157419869
6-(4-pentylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbaldehyde
CID 20810937

Frequently Asked Questions

What is the IUPAC name of N-[(4-formylcyclohexyl)methyl]-N-[(2-methylpropan-2-yl)oxy]formamide?
The IUPAC name of N-[(4-formylcyclohexyl)methyl]-N-[(2-methylpropan-2-yl)oxy]formamide (CID 57247951) is N-[(4-formylcyclohexyl)methyl]-N-[(2-methylpropan-2-yl)oxy]formamide.
What is the SMILES notation for N-[(4-formylcyclohexyl)methyl]-N-[(2-methylpropan-2-yl)oxy]formamide?
The canonical SMILES for N-[(4-formylcyclohexyl)methyl]-N-[(2-methylpropan-2-yl)oxy]formamide is CC(C)(C)ON(C=O)CC1CCC(C=O)CC1.
What is the InChIKey of N-[(4-formylcyclohexyl)methyl]-N-[(2-methylpropan-2-yl)oxy]formamide?
The InChIKey is ZYTJFOUIMAIXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-13(2,3)17-14(10-16)8-11-4-6-12(9-15)7-5-11/h9-12H,4-8H2,1-3H3.
What are the key properties of N-[(4-formylcyclohexyl)methyl]-N-[(2-methylpropan-2-yl)oxy]formamide?
N-[(4-formylcyclohexyl)methyl]-N-[(2-methylpropan-2-yl)oxy]formamide has a molecular weight of 241.33 g/mol, XLogP of 2.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-formylcyclohexyl)methyl]-N-[(2-methylpropan-2-yl)oxy]formamide is sourced from PubChem (CID 57247951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).