N-(2-aminoethyl)-3,4-dihydro-2H-chromene-4-carboxamide

C12H16N2O2 — CID 63710623

IUPACN-(2-aminoethyl)-3,4-dihydro-2H-chromene-4-carboxamide
SMILESNCCNC(=O)C1CCOc2ccccc21
InChIInChI=1S/C12H16N2O2/c13-6-7-14-12(15)10-5-8-16-11-4-2-1-3-9(10)11/h1-4,10H,5-8,13H2,(H,14,15)
InChIKeyHSISHOGEGBLHOF-UHFFFAOYSA-N
MW220.27 g/mol
LogP0.63
Rot. Bonds3

About N-(2-aminoethyl)-3,4-dihydro-2H-chromene-4-carboxamide

N-(2-aminoethyl)-3,4-dihydro-2H-chromene-4-carboxamide (PubChem CID 63710623) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is N-(2-aminoethyl)-3,4-dihydro-2H-chromene-4-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3,4-dihydro-2H-chromene-4-carboxamide
PubChem CID63710623
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC NameN-(2-aminoethyl)-3,4-dihydro-2H-chromene-4-carboxamide
SMILESNCCNC(=O)C1CCOc2ccccc21
InChIInChI=1S/C12H16N2O2/c13-6-7-14-12(15)10-5-8-16-11-4-2-1-3-9(10)11/h1-4,10H,5-8,13H2,(H,14,15)
InChIKeyHSISHOGEGBLHOF-UHFFFAOYSA-N
XLogP0.63
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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

N-(2-phenylethyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 110648358
N-(2-cyanoethyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 63708655
N-[3-(methylamino)propyl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 63709735
(2R)-3-[[(4S)-3,4-dihydro-2H-chromene-4-carbonyl]amino]-2-methylpropanoic acid
CID 124556466
N-(3,3-dimethyl-2-oxobutyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 64992086
N-(3-amino-2-methylpropyl)-3,4-dihydro-2H-chromene-4-carboxamide;hydrochloride
CID 119996124
N-[(4-aminophenyl)methyl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 63710270
N-[2-(3-hydroxypropylsulfanyl)ethyl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 103767456
(2S)-3-(3,4-dihydro-2H-chromene-4-carbonylamino)-2-hydroxypropanoic acid
CID 107833282
N-[(2S)-2-hydroxypropyl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 83030362
N-[2-(2-methylprop-2-enoxy)ethyl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 115700275
N-[(2-chlorophenyl)methyl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 110648124

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3,4-dihydro-2H-chromene-4-carboxamide?
The IUPAC name of N-(2-aminoethyl)-3,4-dihydro-2H-chromene-4-carboxamide (CID 63710623) is N-(2-aminoethyl)-3,4-dihydro-2H-chromene-4-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-3,4-dihydro-2H-chromene-4-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-3,4-dihydro-2H-chromene-4-carboxamide is NCCNC(=O)C1CCOc2ccccc21.
What is the InChIKey of N-(2-aminoethyl)-3,4-dihydro-2H-chromene-4-carboxamide?
The InChIKey is HSISHOGEGBLHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c13-6-7-14-12(15)10-5-8-16-11-4-2-1-3-9(10)11/h1-4,10H,5-8,13H2,(H,14,15).
What are the key properties of N-(2-aminoethyl)-3,4-dihydro-2H-chromene-4-carboxamide?
N-(2-aminoethyl)-3,4-dihydro-2H-chromene-4-carboxamide has a molecular weight of 220.27 g/mol, XLogP of 0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3,4-dihydro-2H-chromene-4-carboxamide is sourced from PubChem (CID 63710623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).