N-(3,4-dihydro-2H-chromen-3-yl)morpholine-3-carboxamide;hydrochloride

C14H19ClN2O3 — CID 119734021

IUPACN-(3,4-dihydro-2H-chromen-3-yl)morpholine-3-carboxamide;hydrochloride
SMILESCl.O=C(NC1COc2ccccc2C1)C1COCCN1
InChIInChI=1S/C14H18N2O3.ClH/c17-14(12-9-18-6-5-15-12)16-11-7-10-3-1-2-4-13(10)19-8-11;/h1-4,11-12,15H,5-9H2,(H,16,17);1H
InChIKeyWFKKODBXLKDVNM-UHFFFAOYSA-N
MW298.77 g/mol
LogP0.52
Rot. Bonds2

About N-(3,4-dihydro-2H-chromen-3-yl)morpholine-3-carboxamide;hydrochloride

N-(3,4-dihydro-2H-chromen-3-yl)morpholine-3-carboxamide;hydrochloride (PubChem CID 119734021) has the molecular formula C14H19ClN2O3 and a molecular weight of 298.77 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-3-yl)morpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-3-yl)morpholine-3-carboxamide;hydrochloride
PubChem CID119734021
Molecular FormulaC14H19ClN2O3
Molecular Weight298.77 g/mol
Exact Mass298.11
IUPAC NameN-(3,4-dihydro-2H-chromen-3-yl)morpholine-3-carboxamide;hydrochloride
SMILESCl.O=C(NC1COc2ccccc2C1)C1COCCN1
InChIInChI=1S/C14H18N2O3.ClH/c17-14(12-9-18-6-5-15-12)16-11-7-10-3-1-2-4-13(10)19-8-11;/h1-4,11-12,15H,5-9H2,(H,16,17);1H
InChIKeyWFKKODBXLKDVNM-UHFFFAOYSA-N
XLogP0.52
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-2-oxoimidazolidine-4-carboxamide
CID 97083464
N-(3,4-dihydro-2H-chromen-3-yl)morpholine-2-carboxamide;hydrochloride
CID 119734072
trans-(1R,2R)-2-[[(3S)-3,4-dihydro-2H-chromen-3-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125131901
2-amino-N-(3,4-dihydro-2H-chromen-3-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119734023
N-[(3R)-3,4-dihydro-2H-chromen-3-yl]benzamide
CID 93499192
N-cycloheptylmorpholine-3-carboxamide;hydrochloride
CID 119674644
methyl 4-(3,4-dihydro-2H-chromen-3-ylamino)-4-oxobutanoate
CID 110751478
(3R)-N-pyrrolidin-3-ylmorpholine-3-carboxamide;hydrochloride
CID 130748088
3-amino-N-(3,4-dihydro-2H-chromen-3-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119734033
N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 94466647
N-[1-(2-phenylethyl)piperidin-4-yl]morpholine-3-carboxamide;dihydrochloride
CID 119844550
1-[[(3S)-3,4-dihydro-2H-chromen-3-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 124590872

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-3-yl)morpholine-3-carboxamide;hydrochloride?
The IUPAC name of N-(3,4-dihydro-2H-chromen-3-yl)morpholine-3-carboxamide;hydrochloride (CID 119734021) is N-(3,4-dihydro-2H-chromen-3-yl)morpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-3-yl)morpholine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-3-yl)morpholine-3-carboxamide;hydrochloride is Cl.O=C(NC1COc2ccccc2C1)C1COCCN1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-3-yl)morpholine-3-carboxamide;hydrochloride?
The InChIKey is WFKKODBXLKDVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3.ClH/c17-14(12-9-18-6-5-15-12)16-11-7-10-3-1-2-4-13(10)19-8-11;/h1-4,11-12,15H,5-9H2,(H,16,17);1H.
What are the key properties of N-(3,4-dihydro-2H-chromen-3-yl)morpholine-3-carboxamide;hydrochloride?
N-(3,4-dihydro-2H-chromen-3-yl)morpholine-3-carboxamide;hydrochloride has a molecular weight of 298.77 g/mol, XLogP of 0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-3-yl)morpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119734021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).