3-amino-N-(3,4-dihydro-2H-chromen-8-yl)butanamide;hydrochloride

C13H19ClN2O2 — CID 119790797

IUPAC3-amino-N-(3,4-dihydro-2H-chromen-8-yl)butanamide;hydrochloride
SMILESCC(N)CC(=O)Nc1cccc2c1OCCC2.Cl
InChIInChI=1S/C13H18N2O2.ClH/c1-9(14)8-12(16)15-11-6-2-4-10-5-3-7-17-13(10)11;/h2,4,6,9H,3,5,7-8,14H2,1H3,(H,15,16);1H
InChIKeyYFDAWFXTXYWIHO-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.11
Rot. Bonds3

About 3-amino-N-(3,4-dihydro-2H-chromen-8-yl)butanamide;hydrochloride

3-amino-N-(3,4-dihydro-2H-chromen-8-yl)butanamide;hydrochloride (PubChem CID 119790797) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 3-amino-N-(3,4-dihydro-2H-chromen-8-yl)butanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(3,4-dihydro-2H-chromen-8-yl)butanamide;hydrochloride
PubChem CID119790797
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name3-amino-N-(3,4-dihydro-2H-chromen-8-yl)butanamide;hydrochloride
SMILESCC(N)CC(=O)Nc1cccc2c1OCCC2.Cl
InChIInChI=1S/C13H18N2O2.ClH/c1-9(14)8-12(16)15-11-6-2-4-10-5-3-7-17-13(10)11;/h2,4,6,9H,3,5,7-8,14H2,1H3,(H,15,16);1H
InChIKeyYFDAWFXTXYWIHO-UHFFFAOYSA-N
XLogP2.11
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dihydro-2H-chromen-8-yl)-2-(4-methylphenoxy)acetamide
CID 110866955
N-(3,4-dihydro-2H-chromen-8-yl)hydroxylamine
CID 57275899
3-amino-1-(3,4-dihydro-2H-chromen-8-yl)pentan-1-one
CID 114748089
1-cyclohexyl-3-(3,4-dihydro-2H-chromen-8-yl)urea
CID 110874634
4-(3,4-dihydro-2H-chromen-8-yl)pentan-2-amine
CID 114746964
3-amino-N-(5-hydroxynaphthalen-1-yl)butanamide
CID 60841593
3-amino-N-(2,3-dihydro-1H-inden-5-yl)butanamide;hydrochloride
CID 119678186
N-(3,4-dihydro-2H-chromen-8-ylsulfanyl)-4-methylpentanamide
CID 145138095
N-(3,4-dihydro-2H-chromen-8-yl)pyridine-3-carboxamide
CID 110870764
3-amino-N-(2-tert-butylphenyl)butanamide;hydrochloride
CID 119399933
(2S)-2-amino-N-(3,4-dihydro-2H-chromen-8-ylsulfonyl)-4-methylpentanamide
CID 122490834
1-(3,4-dihydro-2H-chromen-8-yl)-3-methylbutan-1-amine
CID 114744902

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3,4-dihydro-2H-chromen-8-yl)butanamide;hydrochloride?
The IUPAC name of 3-amino-N-(3,4-dihydro-2H-chromen-8-yl)butanamide;hydrochloride (CID 119790797) is 3-amino-N-(3,4-dihydro-2H-chromen-8-yl)butanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(3,4-dihydro-2H-chromen-8-yl)butanamide;hydrochloride?
The canonical SMILES for 3-amino-N-(3,4-dihydro-2H-chromen-8-yl)butanamide;hydrochloride is CC(N)CC(=O)Nc1cccc2c1OCCC2.Cl.
What is the InChIKey of 3-amino-N-(3,4-dihydro-2H-chromen-8-yl)butanamide;hydrochloride?
The InChIKey is YFDAWFXTXYWIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2.ClH/c1-9(14)8-12(16)15-11-6-2-4-10-5-3-7-17-13(10)11;/h2,4,6,9H,3,5,7-8,14H2,1H3,(H,15,16);1H.
What are the key properties of 3-amino-N-(3,4-dihydro-2H-chromen-8-yl)butanamide;hydrochloride?
3-amino-N-(3,4-dihydro-2H-chromen-8-yl)butanamide;hydrochloride has a molecular weight of 270.76 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3,4-dihydro-2H-chromen-8-yl)butanamide;hydrochloride is sourced from PubChem (CID 119790797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).