N-[4-(dimethylamino)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide

C14H22N2O2 — CID 112605077

IUPACN-[4-(dimethylamino)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCN(C)c1ccc(NC(=O)COC(C)(C)C)cc1
InChIInChI=1S/C14H22N2O2/c1-14(2,3)18-10-13(17)15-11-6-8-12(9-7-11)16(4)5/h6-9H,10H2,1-5H3,(H,15,17)
InChIKeyKQRLBTOWDGVWFZ-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.51
Rot. Bonds4

About N-[4-(dimethylamino)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide

N-[4-(dimethylamino)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide (PubChem CID 112605077) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
PubChem CID112605077
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-[4-(dimethylamino)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCN(C)c1ccc(NC(=O)COC(C)(C)C)cc1
InChIInChI=1S/C14H22N2O2/c1-14(2,3)18-10-13(17)15-11-6-8-12(9-7-11)16(4)5/h6-9H,10H2,1-5H3,(H,15,17)
InChIKeyKQRLBTOWDGVWFZ-UHFFFAOYSA-N
XLogP2.51
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

methyl N-[4-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]phenyl]carbamate
CID 115949974
N-[4-(hydroxymethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112603178
2-[(2-methylpropan-2-yl)oxy]-N-(4-propan-2-ylphenyl)acetamide
CID 112604884
2-methyl-N-[4-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]phenyl]propanamide
CID 115950293
methyl 4-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]benzoate
CID 112603565
3-amino-N-[4-(dimethylamino)phenyl]-3-methylbutanamide
CID 64685391
2-[4-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]phenoxy]acetic acid
CID 115949264
2-[(2-methylpropan-2-yl)oxy]-N-(4-sulfamoylphenyl)acetamide
CID 112602943
N-[4-(2-bromoethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604146
2-(dimethylamino)-N-[4-(dimethylamino)phenyl]acetamide
CID 18870888
N-ethyl-2-[4-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]phenyl]acetamide
CID 115950017
N-[4-(dimethylamino)phenyl]-3,4,4-trimethylpentanamide
CID 86901166

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide (CID 112605077) is N-[4-(dimethylamino)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide is CN(C)c1ccc(NC(=O)COC(C)(C)C)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The InChIKey is KQRLBTOWDGVWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-14(2,3)18-10-13(17)15-11-6-8-12(9-7-11)16(4)5/h6-9H,10H2,1-5H3,(H,15,17).
What are the key properties of N-[4-(dimethylamino)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
N-[4-(dimethylamino)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide has a molecular weight of 250.34 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide is sourced from PubChem (CID 112605077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).