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

C14H21ClN2O2 — CID 119295204

IUPAC2-amino-N-(3,4-dihydro-2H-chromen-3-yl)pentanamide;hydrochloride
SMILESCCCC(N)C(=O)NC1COc2ccccc2C1.Cl
InChIInChI=1S/C14H20N2O2.ClH/c1-2-5-12(15)14(17)16-11-8-10-6-3-4-7-13(10)18-9-11;/h3-4,6-7,11-12H,2,5,8-9,15H2,1H3,(H,16,17);1H
InChIKeyMESCEAKZAYYRJV-UHFFFAOYSA-N
MW284.79 g/mol
LogP1.66
Rot. Bonds4

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

2-amino-N-(3,4-dihydro-2H-chromen-3-yl)pentanamide;hydrochloride (PubChem CID 119295204) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 2-amino-N-(3,4-dihydro-2H-chromen-3-yl)pentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(3,4-dihydro-2H-chromen-3-yl)pentanamide;hydrochloride
PubChem CID119295204
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name2-amino-N-(3,4-dihydro-2H-chromen-3-yl)pentanamide;hydrochloride
SMILESCCCC(N)C(=O)NC1COc2ccccc2C1.Cl
InChIInChI=1S/C14H20N2O2.ClH/c1-2-5-12(15)14(17)16-11-8-10-6-3-4-7-13(10)18-9-11;/h3-4,6-7,11-12H,2,5,8-9,15H2,1H3,(H,16,17);1H
InChIKeyMESCEAKZAYYRJV-UHFFFAOYSA-N
XLogP1.66
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3,4-dihydro-2H-chromen-3-yl)pentanamide;hydrochloride?
The IUPAC name of 2-amino-N-(3,4-dihydro-2H-chromen-3-yl)pentanamide;hydrochloride (CID 119295204) is 2-amino-N-(3,4-dihydro-2H-chromen-3-yl)pentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(3,4-dihydro-2H-chromen-3-yl)pentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-(3,4-dihydro-2H-chromen-3-yl)pentanamide;hydrochloride is CCCC(N)C(=O)NC1COc2ccccc2C1.Cl.
What is the InChIKey of 2-amino-N-(3,4-dihydro-2H-chromen-3-yl)pentanamide;hydrochloride?
The InChIKey is MESCEAKZAYYRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2.ClH/c1-2-5-12(15)14(17)16-11-8-10-6-3-4-7-13(10)18-9-11;/h3-4,6-7,11-12H,2,5,8-9,15H2,1H3,(H,16,17);1H.
What are the key properties of 2-amino-N-(3,4-dihydro-2H-chromen-3-yl)pentanamide;hydrochloride?
2-amino-N-(3,4-dihydro-2H-chromen-3-yl)pentanamide;hydrochloride has a molecular weight of 284.79 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3,4-dihydro-2H-chromen-3-yl)pentanamide;hydrochloride is sourced from PubChem (CID 119295204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).