N,N-dimethyl-2-[4-[(2-methylpropan-2-yl)oxy]anilino]acetamide

C14H22N2O2 — CID 71997880

IUPACN,N-dimethyl-2-[4-[(2-methylpropan-2-yl)oxy]anilino]acetamide
SMILESCN(C)C(=O)CNc1ccc(OC(C)(C)C)cc1
InChIInChI=1S/C14H22N2O2/c1-14(2,3)18-12-8-6-11(7-9-12)15-10-13(17)16(4)5/h6-9,15H,10H2,1-5H3
InChIKeyAHSRXLSBBIJQHG-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.36
Rot. Bonds4

About N,N-dimethyl-2-[4-[(2-methylpropan-2-yl)oxy]anilino]acetamide

N,N-dimethyl-2-[4-[(2-methylpropan-2-yl)oxy]anilino]acetamide (PubChem CID 71997880) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-[(2-methylpropan-2-yl)oxy]anilino]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-[(2-methylpropan-2-yl)oxy]anilino]acetamide
PubChem CID71997880
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN,N-dimethyl-2-[4-[(2-methylpropan-2-yl)oxy]anilino]acetamide
SMILESCN(C)C(=O)CNc1ccc(OC(C)(C)C)cc1
InChIInChI=1S/C14H22N2O2/c1-14(2,3)18-12-8-6-11(7-9-12)15-10-13(17)16(4)5/h6-9,15H,10H2,1-5H3
InChIKeyAHSRXLSBBIJQHG-UHFFFAOYSA-N
XLogP2.36
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 ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[4-[(2-methylpropan-2-yl)oxy]anilino]acetate
CID 170102656
2-(4-bromoanilino)-N,N-dimethylacetamide
CID 28581140
N',N'-dimethyl-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethane-1,2-diamine
CID 98784045
N,N-dimethyl-2-(4-pentan-3-ylanilino)acetamide
CID 126626051
2-[4-(dimethylsulfamoyl)anilino]-N,N-dimethylacetamide
CID 43387793
2-ethyl-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]butanamide
CID 110481366
2-(methylamino)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetamide;hydrochloride
CID 119752817
methyl N-[4-[(2-methylpropan-2-yl)oxy]phenyl]carbamate
CID 67274992
N,N-dimethyl-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide
CID 54940880
1-(2-hydroxypropyl)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-propan-2-ylurea
CID 111969776
3-chloro-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanamide
CID 110480815
3-(methylamino)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanamide
CID 98784394

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-[(2-methylpropan-2-yl)oxy]anilino]acetamide?
The IUPAC name of N,N-dimethyl-2-[4-[(2-methylpropan-2-yl)oxy]anilino]acetamide (CID 71997880) is N,N-dimethyl-2-[4-[(2-methylpropan-2-yl)oxy]anilino]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[4-[(2-methylpropan-2-yl)oxy]anilino]acetamide?
The canonical SMILES for N,N-dimethyl-2-[4-[(2-methylpropan-2-yl)oxy]anilino]acetamide is CN(C)C(=O)CNc1ccc(OC(C)(C)C)cc1.
What is the InChIKey of N,N-dimethyl-2-[4-[(2-methylpropan-2-yl)oxy]anilino]acetamide?
The InChIKey is AHSRXLSBBIJQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-14(2,3)18-12-8-6-11(7-9-12)15-10-13(17)16(4)5/h6-9,15H,10H2,1-5H3.
What are the key properties of N,N-dimethyl-2-[4-[(2-methylpropan-2-yl)oxy]anilino]acetamide?
N,N-dimethyl-2-[4-[(2-methylpropan-2-yl)oxy]anilino]acetamide has a molecular weight of 250.34 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-[(2-methylpropan-2-yl)oxy]anilino]acetamide is sourced from PubChem (CID 71997880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).