2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]oxyacetamide

C13H18N2O3 — CID 112673304

IUPAC2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]oxyacetamide
SMILESCC1(C)CC(NOCC(N)=O)c2ccccc2O1
InChIInChI=1S/C13H18N2O3/c1-13(2)7-10(15-17-8-12(14)16)9-5-3-4-6-11(9)18-13/h3-6,10,15H,7-8H2,1-2H3,(H2,14,16)
InChIKeyHMIWNWUHKFJCOZ-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.30
Rot. Bonds4

About 2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]oxyacetamide

2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]oxyacetamide (PubChem CID 112673304) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]oxyacetamide.

Molecular Properties

Compound Name2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]oxyacetamide
PubChem CID112673304
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]oxyacetamide
SMILESCC1(C)CC(NOCC(N)=O)c2ccccc2O1
InChIInChI=1S/C13H18N2O3/c1-13(2)7-10(15-17-8-12(14)16)9-5-3-4-6-11(9)18-13/h3-6,10,15H,7-8H2,1-2H3,(H2,14,16)
InChIKeyHMIWNWUHKFJCOZ-UHFFFAOYSA-N
XLogP1.30
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]acetate
CID 81136675
methyl 3-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]propanoate
CID 81137020
(2S)-2-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-methylpentanamide
CID 119797980
(2R)-2-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)propanamide
CID 119331766
2-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-methoxypropanamide
CID 120992686
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2,2-dimethylpropanamide
CID 56922214
4-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)butanamide;hydrochloride
CID 119331773
2-(4-bromophenoxy)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 132659156
2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]-N,N-diethylacetamide
CID 115712626
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(2-fluorophenoxy)acetamide
CID 132651349
4-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)pentanamide;hydrochloride
CID 120563166
2-(4-tert-butylphenoxy)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 132655030

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]oxyacetamide?
The IUPAC name of 2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]oxyacetamide (CID 112673304) is 2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]oxyacetamide.
What is the SMILES notation for 2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]oxyacetamide?
The canonical SMILES for 2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]oxyacetamide is CC1(C)CC(NOCC(N)=O)c2ccccc2O1.
What is the InChIKey of 2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]oxyacetamide?
The InChIKey is HMIWNWUHKFJCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-13(2)7-10(15-17-8-12(14)16)9-5-3-4-6-11(9)18-13/h3-6,10,15H,7-8H2,1-2H3,(H2,14,16).
What are the key properties of 2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]oxyacetamide?
2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]oxyacetamide has a molecular weight of 250.30 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]oxyacetamide is sourced from PubChem (CID 112673304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).