2-(3,4-dihydro-2H-chromen-4-ylmethylamino)acetamide

C12H16N2O2 — CID 104768242

IUPAC2-(3,4-dihydro-2H-chromen-4-ylmethylamino)acetamide
SMILESNC(=O)CNCC1CCOc2ccccc21
InChIInChI=1S/C12H16N2O2/c13-12(15)8-14-7-9-5-6-16-11-4-2-1-3-10(9)11/h1-4,9,14H,5-8H2,(H2,13,15)
InChIKeySHQXRJAVGOKUTF-UHFFFAOYSA-N
MW220.27 g/mol
LogP0.63
Rot. Bonds4

About 2-(3,4-dihydro-2H-chromen-4-ylmethylamino)acetamide

2-(3,4-dihydro-2H-chromen-4-ylmethylamino)acetamide (PubChem CID 104768242) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-4-ylmethylamino)acetamide.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-4-ylmethylamino)acetamide
PubChem CID104768242
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name2-(3,4-dihydro-2H-chromen-4-ylmethylamino)acetamide
SMILESNC(=O)CNCC1CCOc2ccccc21
InChIInChI=1S/C12H16N2O2/c13-12(15)8-14-7-9-5-6-16-11-4-2-1-3-10(9)11/h1-4,9,14H,5-8H2,(H2,13,15)
InChIKeySHQXRJAVGOKUTF-UHFFFAOYSA-N
XLogP0.63
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-ylmethyl)methanamine
CID 63708653
3-(3,4-dihydro-2H-chromen-4-ylmethylamino)propanoic acid
CID 104768885
2-(cyclopropylmethylamino)-N-(3,4-dihydro-2H-chromen-4-ylmethyl)acetamide;hydrochloride
CID 119762189
N-(3,4-dihydro-2H-chromen-4-ylmethyl)acetamide
CID 110709223
3-(3,4-dihydro-2H-chromen-4-ylmethylamino)propane-1,2-diol
CID 113451136
N-[2-(3,4-dihydro-2H-chromen-4-ylmethylamino)ethyl]cyclopropanecarboxamide
CID 115756467
[4-[(3,4-dihydro-2H-chromen-4-ylmethylamino)methyl]phenyl]methanol
CID 107230849
[(4S)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887495
[(4R)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887493
1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine;hydrochloride
CID 165145525
1-(3,4-dihydro-2H-chromen-4-yl)propan-2-one
CID 14203080
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-ethylbutan-1-amine
CID 115756745

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-chromen-4-ylmethylamino)acetamide?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-4-ylmethylamino)acetamide (CID 104768242) is 2-(3,4-dihydro-2H-chromen-4-ylmethylamino)acetamide.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-4-ylmethylamino)acetamide?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-4-ylmethylamino)acetamide is NC(=O)CNCC1CCOc2ccccc21.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-4-ylmethylamino)acetamide?
The InChIKey is SHQXRJAVGOKUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c13-12(15)8-14-7-9-5-6-16-11-4-2-1-3-10(9)11/h1-4,9,14H,5-8H2,(H2,13,15).
What are the key properties of 2-(3,4-dihydro-2H-chromen-4-ylmethylamino)acetamide?
2-(3,4-dihydro-2H-chromen-4-ylmethylamino)acetamide has a molecular weight of 220.27 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-chromen-4-ylmethylamino)acetamide is sourced from PubChem (CID 104768242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).