N-[2-(2,2-dimethylpropoxy)phenyl]formamide

C12H17NO2 — CID 143321861

IUPACN-[2-(2,2-dimethylpropoxy)phenyl]formamide
SMILESCC(C)(C)COc1ccccc1NC=O
InChIInChI=1S/C12H17NO2/c1-12(2,3)8-15-11-7-5-4-6-10(11)13-9-14/h4-7,9H,8H2,1-3H3,(H,13,14)
InChIKeyGVUARMIANPMHGB-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.68
Rot. Bonds4

About N-[2-(2,2-dimethylpropoxy)phenyl]formamide

N-[2-(2,2-dimethylpropoxy)phenyl]formamide (PubChem CID 143321861) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is N-[2-(2,2-dimethylpropoxy)phenyl]formamide.

Molecular Properties

Compound NameN-[2-(2,2-dimethylpropoxy)phenyl]formamide
PubChem CID143321861
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC NameN-[2-(2,2-dimethylpropoxy)phenyl]formamide
SMILESCC(C)(C)COc1ccccc1NC=O
InChIInChI=1S/C12H17NO2/c1-12(2,3)8-15-11-7-5-4-6-10(11)13-9-14/h4-7,9H,8H2,1-3H3,(H,13,14)
InChIKeyGVUARMIANPMHGB-UHFFFAOYSA-N
XLogP2.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethoxyphenyl)formamide;molecular hydrogen
CID 142473191
1,2-bis(2,2-dimethylpropoxy)benzene
CID 15508253
N-[2-(2-phenoxyethoxy)phenyl]formamide
CID 168654375
methanamine;N-(2-methoxyphenyl)formamide
CID 143368119
tert-butyl N-methylcarbamate;N-(2-propoxyphenyl)formamide
CID 144684417
N-[2-(4-phenylbutoxy)phenyl]formamide
CID 150186708
N-[2-[2-(3-methylpyrazol-1-yl)ethoxy]phenyl]formamide
CID 168653643
N-(2-tert-butylphenyl)formamide;ethane
CID 143497447
N-[2-(4-fluorophenoxy)phenyl]formamide
CID 86192955
N-[2-(1-hydroxy-1-phenylethyl)phenyl]formamide
CID 13167683
N-[2-(2-methylpropylamino)phenyl]formamide
CID 168653320
O-[2-[2-(2,2-dimethylpropoxy)phenyl]phenyl]hydroxylamine
CID 170603146

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-dimethylpropoxy)phenyl]formamide?
The IUPAC name of N-[2-(2,2-dimethylpropoxy)phenyl]formamide (CID 143321861) is N-[2-(2,2-dimethylpropoxy)phenyl]formamide.
What is the SMILES notation for N-[2-(2,2-dimethylpropoxy)phenyl]formamide?
The canonical SMILES for N-[2-(2,2-dimethylpropoxy)phenyl]formamide is CC(C)(C)COc1ccccc1NC=O.
What is the InChIKey of N-[2-(2,2-dimethylpropoxy)phenyl]formamide?
The InChIKey is GVUARMIANPMHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-12(2,3)8-15-11-7-5-4-6-10(11)13-9-14/h4-7,9H,8H2,1-3H3,(H,13,14).
What are the key properties of N-[2-(2,2-dimethylpropoxy)phenyl]formamide?
N-[2-(2,2-dimethylpropoxy)phenyl]formamide has a molecular weight of 207.27 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-dimethylpropoxy)phenyl]formamide is sourced from PubChem (CID 143321861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).