N-[4-[3-(4-cyanophenoxy)propoxy]phenyl]-N,2,2-trimethylpropanamide

C22H26N2O3 — CID 112827984

IUPACN-[4-[3-(4-cyanophenoxy)propoxy]phenyl]-N,2,2-trimethylpropanamide
SMILESCN(C(=O)C(C)(C)C)c1ccc(OCCCOc2ccc(C#N)cc2)cc1
InChIInChI=1S/C22H26N2O3/c1-22(2,3)21(25)24(4)18-8-12-20(13-9-18)27-15-5-14-26-19-10-6-17(16-23)7-11-19/h6-13H,5,14-15H2,1-4H3
InChIKeyCOAPUVLSCNOETC-UHFFFAOYSA-N
MW366.46 g/mol
LogP4.42
Rot. Bonds7

About N-[4-[3-(4-cyanophenoxy)propoxy]phenyl]-N,2,2-trimethylpropanamide

N-[4-[3-(4-cyanophenoxy)propoxy]phenyl]-N,2,2-trimethylpropanamide (PubChem CID 112827984) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-[4-[3-(4-cyanophenoxy)propoxy]phenyl]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound NameN-[4-[3-(4-cyanophenoxy)propoxy]phenyl]-N,2,2-trimethylpropanamide
PubChem CID112827984
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC NameN-[4-[3-(4-cyanophenoxy)propoxy]phenyl]-N,2,2-trimethylpropanamide
SMILESCN(C(=O)C(C)(C)C)c1ccc(OCCCOc2ccc(C#N)cc2)cc1
InChIInChI=1S/C22H26N2O3/c1-22(2,3)21(25)24(4)18-8-12-20(13-9-18)27-15-5-14-26-19-10-6-17(16-23)7-11-19/h6-13H,5,14-15H2,1-4H3
InChIKeyCOAPUVLSCNOETC-UHFFFAOYSA-N
XLogP4.42
TPSA62.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-cyanophenyl)-2-hydroxy-N,2-dimethylpropanamide
CID 103429961
2-amino-N-(4-cyanophenyl)-N,2-dimethylpropanamide
CID 62983360
N-(4-cyanophenyl)-2-methoxy-N,2-dimethylbutanamide
CID 114105638
2-amino-N-(4-cyanophenyl)-N,2-dimethylbutanamide
CID 79811112
N-(4-cyanophenyl)-2-(ethylamino)-N,2-dimethylpropanamide
CID 62982145
ethane;4-(3-oxobutoxy)benzonitrile
CID 91075303
N-(5-cyano-2-pyridinyl)-N,2,2-trimethylpropanamide
CID 115268043
4-[3-(3,3-dimethylbutoxy)propoxy]benzonitrile
CID 66233382
2-bromo-N-(4-cyanophenyl)-N-methylacetamide
CID 63679745
5-(4-cyanophenoxy)pentanoic acid
CID 18767503
N-[4-[3-(4-chlorophenoxy)propoxy]phenyl]-N-methylacetamide
CID 166215355
N-[4-[(3-fluorophenyl)methoxy]phenyl]-N,2,2-trimethylpropanamide
CID 112828000

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(4-cyanophenoxy)propoxy]phenyl]-N,2,2-trimethylpropanamide?
The IUPAC name of N-[4-[3-(4-cyanophenoxy)propoxy]phenyl]-N,2,2-trimethylpropanamide (CID 112827984) is N-[4-[3-(4-cyanophenoxy)propoxy]phenyl]-N,2,2-trimethylpropanamide.
What is the SMILES notation for N-[4-[3-(4-cyanophenoxy)propoxy]phenyl]-N,2,2-trimethylpropanamide?
The canonical SMILES for N-[4-[3-(4-cyanophenoxy)propoxy]phenyl]-N,2,2-trimethylpropanamide is CN(C(=O)C(C)(C)C)c1ccc(OCCCOc2ccc(C#N)cc2)cc1.
What is the InChIKey of N-[4-[3-(4-cyanophenoxy)propoxy]phenyl]-N,2,2-trimethylpropanamide?
The InChIKey is COAPUVLSCNOETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-22(2,3)21(25)24(4)18-8-12-20(13-9-18)27-15-5-14-26-19-10-6-17(16-23)7-11-19/h6-13H,5,14-15H2,1-4H3.
What are the key properties of N-[4-[3-(4-cyanophenoxy)propoxy]phenyl]-N,2,2-trimethylpropanamide?
N-[4-[3-(4-cyanophenoxy)propoxy]phenyl]-N,2,2-trimethylpropanamide has a molecular weight of 366.46 g/mol, XLogP of 4.42, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(4-cyanophenoxy)propoxy]phenyl]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 112827984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).