3-(3,4-dihydro-2H-chromen-4-ylamino)-2-methylpropanamide

C13H18N2O2 — CID 62364889

IUPAC3-(3,4-dihydro-2H-chromen-4-ylamino)-2-methylpropanamide
SMILESCC(CNC1CCOc2ccccc21)C(N)=O
InChIInChI=1S/C13H18N2O2/c1-9(13(14)16)8-15-11-6-7-17-12-5-3-2-4-10(11)12/h2-5,9,11,15H,6-8H2,1H3,(H2,14,16)
InChIKeyJNZKUMRHKNZCNI-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.22
Rot. Bonds4

About 3-(3,4-dihydro-2H-chromen-4-ylamino)-2-methylpropanamide

3-(3,4-dihydro-2H-chromen-4-ylamino)-2-methylpropanamide (PubChem CID 62364889) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-chromen-4-ylamino)-2-methylpropanamide.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-chromen-4-ylamino)-2-methylpropanamide
PubChem CID62364889
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name3-(3,4-dihydro-2H-chromen-4-ylamino)-2-methylpropanamide
SMILESCC(CNC1CCOc2ccccc21)C(N)=O
InChIInChI=1S/C13H18N2O2/c1-9(13(14)16)8-15-11-6-7-17-12-5-3-2-4-10(11)12/h2-5,9,11,15H,6-8H2,1H3,(H2,14,16)
InChIKeyJNZKUMRHKNZCNI-UHFFFAOYSA-N
XLogP1.22
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-dihydro-2H-chromen-4-ylamino)-2-hydroxypropanamide
CID 106171125
3-(2,3-dihydro-1H-inden-1-ylamino)-2-methylpropanamide
CID 43652107
1-N-(3,4-dihydro-2H-chromen-4-yl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 54913047
N-(2-cyclopropylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 115713897
1-(3,4-dihydro-2H-chromen-4-ylamino)butan-2-ol
CID 62365912
2-(3,4-dihydro-2H-chromen-4-ylamino)-N-pentan-2-ylacetamide
CID 60693874
2-(3,4-dihydro-2H-chromen-4-ylamino)-N-(2-methylpropyl)propanamide
CID 60677318
2-amino-N-(3,4-dihydro-2H-chromen-4-yl)pentanamide;hydrochloride
CID 119268919
2-carbamothioyl-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylbutanamide
CID 62365398
N'-(3,4-dihydro-2H-chromen-4-yl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
CID 43202404
butyl 2-(3,4-dihydro-2H-chromen-4-ylamino)acetate
CID 62365383
2-(3,4-dihydro-2H-chromen-4-ylamino)acetonitrile
CID 62367299

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-chromen-4-ylamino)-2-methylpropanamide?
The IUPAC name of 3-(3,4-dihydro-2H-chromen-4-ylamino)-2-methylpropanamide (CID 62364889) is 3-(3,4-dihydro-2H-chromen-4-ylamino)-2-methylpropanamide.
What is the SMILES notation for 3-(3,4-dihydro-2H-chromen-4-ylamino)-2-methylpropanamide?
The canonical SMILES for 3-(3,4-dihydro-2H-chromen-4-ylamino)-2-methylpropanamide is CC(CNC1CCOc2ccccc21)C(N)=O.
What is the InChIKey of 3-(3,4-dihydro-2H-chromen-4-ylamino)-2-methylpropanamide?
The InChIKey is JNZKUMRHKNZCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9(13(14)16)8-15-11-6-7-17-12-5-3-2-4-10(11)12/h2-5,9,11,15H,6-8H2,1H3,(H2,14,16).
What are the key properties of 3-(3,4-dihydro-2H-chromen-4-ylamino)-2-methylpropanamide?
3-(3,4-dihydro-2H-chromen-4-ylamino)-2-methylpropanamide has a molecular weight of 234.30 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-chromen-4-ylamino)-2-methylpropanamide is sourced from PubChem (CID 62364889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).