N-[3-(2-amino-2-oxoethoxy)phenyl]-2,2-dimethylpropanamide

C13H18N2O3 — CID 38160075

IUPACN-[3-(2-amino-2-oxoethoxy)phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cccc(OCC(N)=O)c1
InChIInChI=1S/C13H18N2O3/c1-13(2,3)12(17)15-9-5-4-6-10(7-9)18-8-11(14)16/h4-7H,8H2,1-3H3,(H2,14,16)(H,15,17)
InChIKeyYOFYGHMSEBXPMN-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.54
Rot. Bonds4

About N-[3-(2-amino-2-oxoethoxy)phenyl]-2,2-dimethylpropanamide

N-[3-(2-amino-2-oxoethoxy)phenyl]-2,2-dimethylpropanamide (PubChem CID 38160075) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-[3-(2-amino-2-oxoethoxy)phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-(2-amino-2-oxoethoxy)phenyl]-2,2-dimethylpropanamide
PubChem CID38160075
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN-[3-(2-amino-2-oxoethoxy)phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cccc(OCC(N)=O)c1
InChIInChI=1S/C13H18N2O3/c1-13(2,3)12(17)15-9-5-4-6-10(7-9)18-8-11(14)16/h4-7H,8H2,1-3H3,(H2,14,16)(H,15,17)
InChIKeyYOFYGHMSEBXPMN-UHFFFAOYSA-N
XLogP1.54
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(2-amino-2-oxoethoxy)phenyl]-3-oxobutanamide
CID 61251264
N-[3-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]-2,2-dimethylpropanamide
CID 18870351
4-[[2-[3-(2,2-dimethylpropanoylamino)phenoxy]acetyl]amino]benzoic acid
CID 18870384
(3,5-dimethylphenyl) 2-[3-(2,2-dimethylpropanoylamino)phenoxy]acetate
CID 18870412
2-[3-[[4-(2,2-dimethylpropanoylamino)benzoyl]amino]phenoxy]acetic acid
CID 17297148
(4-phenoxyphenyl) 2-[3-(2,2-dimethylpropanoylamino)phenoxy]acetate
CID 18870391
(4-bromophenyl) 2-[3-(2,2-dimethylpropanoylamino)phenoxy]acetate
CID 18870358
N-[3-[2-(dimethylamino)ethoxy]phenyl]-2,2-dimethylpropanamide
CID 60776296
2-[3-(2-methylpropylamino)phenoxy]acetamide
CID 43720195
methyl 2-[3-[(2-amino-2-methylpropanoyl)amino]phenoxy]acetate;hydrochloride
CID 119284132
2,2-dimethyl-N-[3-(trifluoromethoxy)phenyl]propanamide
CID 60725225
2-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]-3-methylbutanamide;hydrochloride
CID 119277909

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-2-oxoethoxy)phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[3-(2-amino-2-oxoethoxy)phenyl]-2,2-dimethylpropanamide (CID 38160075) is N-[3-(2-amino-2-oxoethoxy)phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3-(2-amino-2-oxoethoxy)phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[3-(2-amino-2-oxoethoxy)phenyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1cccc(OCC(N)=O)c1.
What is the InChIKey of N-[3-(2-amino-2-oxoethoxy)phenyl]-2,2-dimethylpropanamide?
The InChIKey is YOFYGHMSEBXPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-13(2,3)12(17)15-9-5-4-6-10(7-9)18-8-11(14)16/h4-7H,8H2,1-3H3,(H2,14,16)(H,15,17).
What are the key properties of N-[3-(2-amino-2-oxoethoxy)phenyl]-2,2-dimethylpropanamide?
N-[3-(2-amino-2-oxoethoxy)phenyl]-2,2-dimethylpropanamide has a molecular weight of 250.30 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-2-oxoethoxy)phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 38160075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).