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

C20H25ClN2O2 — CID 120886137

IUPACN-(2-aminoethyl)-N-(2-phenylethyl)-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride
SMILESCl.NCCN(CCc1ccccc1)C(=O)C1COc2ccccc2C1
InChIInChI=1S/C20H24N2O2.ClH/c21-11-13-22(12-10-16-6-2-1-3-7-16)20(23)18-14-17-8-4-5-9-19(17)24-15-18;/h1-9,18H,10-15,21H2;1H
InChIKeySFDRYUINLCTEOZ-UHFFFAOYSA-N
MW360.88 g/mol
LogP2.69
Rot. Bonds6

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

N-(2-aminoethyl)-N-(2-phenylethyl)-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride (PubChem CID 120886137) has the molecular formula C20H25ClN2O2 and a molecular weight of 360.88 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-(2-phenylethyl)-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-(2-phenylethyl)-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride
PubChem CID120886137
Molecular FormulaC20H25ClN2O2
Molecular Weight360.88 g/mol
Exact Mass360.16
IUPAC NameN-(2-aminoethyl)-N-(2-phenylethyl)-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride
SMILESCl.NCCN(CCc1ccccc1)C(=O)C1COc2ccccc2C1
InChIInChI=1S/C20H24N2O2.ClH/c21-11-13-22(12-10-16-6-2-1-3-7-16)20(23)18-14-17-8-4-5-9-19(17)24-15-18;/h1-9,18H,10-15,21H2;1H
InChIKeySFDRYUINLCTEOZ-UHFFFAOYSA-N
XLogP2.69
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.88
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-N-(2-phenylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide;hydrochloride
CID 120886335
N-(2-aminoethyl)-N-(2-phenylethyl)cyclohexanecarboxamide;hydrochloride
CID 120886157
N-benzyl-N-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 134041165
N-(2-aminoethyl)-N-(2-phenylethyl)oxane-3-carboxamide;hydrochloride
CID 120884901
N-(2-aminoethyl)-1-methyl-N-(2-phenylethyl)piperidine-4-carboxamide;dihydrochloride
CID 120885911
N-(3-phenylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578103
3,4-dihydro-2H-chromene-3-carboxylic acid
CID 162072408
N-(2-aminoethyl)-N-(2-phenylethyl)-1-propan-2-ylpiperidine-4-carboxamide;dihydrochloride
CID 120884651
N-(2-aminoethyl)-N-(2-phenylethyl)-3,4-dihydro-1H-isochromene-1-carboxamide
CID 120884804
N-(2-aminoethyl)-1-tert-butyl-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 120885635
(3R)-N-benzyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 9243365
N-(2-aminoethyl)-N-(2-phenylethyl)-1-propan-2-ylpiperidine-4-carboxamide
CID 120884652

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-(2-phenylethyl)-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-N-(2-phenylethyl)-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride (CID 120886137) is N-(2-aminoethyl)-N-(2-phenylethyl)-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-N-(2-phenylethyl)-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-N-(2-phenylethyl)-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride is Cl.NCCN(CCc1ccccc1)C(=O)C1COc2ccccc2C1.
What is the InChIKey of N-(2-aminoethyl)-N-(2-phenylethyl)-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride?
The InChIKey is SFDRYUINLCTEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2.ClH/c21-11-13-22(12-10-16-6-2-1-3-7-16)20(23)18-14-17-8-4-5-9-19(17)24-15-18;/h1-9,18H,10-15,21H2;1H.
What are the key properties of N-(2-aminoethyl)-N-(2-phenylethyl)-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride?
N-(2-aminoethyl)-N-(2-phenylethyl)-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride has a molecular weight of 360.88 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-(2-phenylethyl)-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride is sourced from PubChem (CID 120886137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).