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

C14H21ClN2O2 — CID 119268919

IUPAC2-amino-N-(3,4-dihydro-2H-chromen-4-yl)pentanamide;hydrochloride
SMILESCCCC(N)C(=O)NC1CCOc2ccccc21.Cl
InChIInChI=1S/C14H20N2O2.ClH/c1-2-5-11(15)14(17)16-12-8-9-18-13-7-4-3-6-10(12)13;/h3-4,6-7,11-12H,2,5,8-9,15H2,1H3,(H,16,17);1H
InChIKeyZQMWVONMDWTIBV-UHFFFAOYSA-N
MW284.79 g/mol
LogP2.18
Rot. Bonds4

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

2-amino-N-(3,4-dihydro-2H-chromen-4-yl)pentanamide;hydrochloride (PubChem CID 119268919) 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-4-yl)pentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(3,4-dihydro-2H-chromen-4-yl)pentanamide;hydrochloride
PubChem CID119268919
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name2-amino-N-(3,4-dihydro-2H-chromen-4-yl)pentanamide;hydrochloride
SMILESCCCC(N)C(=O)NC1CCOc2ccccc21.Cl
InChIInChI=1S/C14H20N2O2.ClH/c1-2-5-11(15)14(17)16-12-8-9-18-13-7-4-3-6-10(12)13;/h3-4,6-7,11-12H,2,5,8-9,15H2,1H3,(H,16,17);1H
InChIKeyZQMWVONMDWTIBV-UHFFFAOYSA-N
XLogP2.18
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 ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-(3,4-dihydro-2H-chromen-4-yl)-2-phenylacetamide
CID 61180627
2-(3,4-dihydro-2H-chromen-4-ylcarbamoylamino)pentanoic acid
CID 62366276
3-amino-N-(3,4-dihydro-2H-chromen-4-yl)-2-phenylpropanamide;hydrochloride
CID 119685133
2-(3,4-dihydro-2H-chromen-4-ylamino)-N-pentan-2-ylpropanamide
CID 60722358
(2S)-2-bromo-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-methylbutanamide
CID 93300423
(2S)-2-bromo-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-methylbutanamide
CID 93300419
2-bromo-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylbutanamide
CID 43244721
3-amino-N-(3,4-dihydro-2H-chromen-4-yl)propanamide;hydrochloride
CID 119268905
N-[6-(1-aminobutyl)-3,4-dihydro-2H-chromen-4-yl]-2-methylpropanamide
CID 82174629
ethyl 2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoacetate
CID 62365066
(2S)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-methylsulfonylpropanamide
CID 94025535
2-amino-N-(3,4-dihydro-2H-chromen-3-yl)pentanamide;hydrochloride
CID 119295204

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3,4-dihydro-2H-chromen-4-yl)pentanamide;hydrochloride?
The IUPAC name of 2-amino-N-(3,4-dihydro-2H-chromen-4-yl)pentanamide;hydrochloride (CID 119268919) is 2-amino-N-(3,4-dihydro-2H-chromen-4-yl)pentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(3,4-dihydro-2H-chromen-4-yl)pentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-(3,4-dihydro-2H-chromen-4-yl)pentanamide;hydrochloride is CCCC(N)C(=O)NC1CCOc2ccccc21.Cl.
What is the InChIKey of 2-amino-N-(3,4-dihydro-2H-chromen-4-yl)pentanamide;hydrochloride?
The InChIKey is ZQMWVONMDWTIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2.ClH/c1-2-5-11(15)14(17)16-12-8-9-18-13-7-4-3-6-10(12)13;/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-4-yl)pentanamide;hydrochloride?
2-amino-N-(3,4-dihydro-2H-chromen-4-yl)pentanamide;hydrochloride has a molecular weight of 284.79 g/mol, XLogP of 2.18, 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-4-yl)pentanamide;hydrochloride is sourced from PubChem (CID 119268919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).