N-(3-aminopropyl)-N-benzyl-6-methoxy-2H-chromene-3-carboxamide;hydrochloride

C21H25ClN2O3 — CID 120649645

IUPACN-(3-aminopropyl)-N-benzyl-6-methoxy-2H-chromene-3-carboxamide;hydrochloride
SMILESCOc1ccc2c(c1)C=C(C(=O)N(CCCN)Cc1ccccc1)CO2.Cl
InChIInChI=1S/C21H24N2O3.ClH/c1-25-19-8-9-20-17(13-19)12-18(15-26-20)21(24)23(11-5-10-22)14-16-6-3-2-4-7-16;/h2-4,6-9,12-13H,5,10-11,14-15,22H2,1H3;1H
InChIKeyVWUTVYALNNYNPT-UHFFFAOYSA-N
MW388.90 g/mol
LogP3.27
Rot. Bonds7

About N-(3-aminopropyl)-N-benzyl-6-methoxy-2H-chromene-3-carboxamide;hydrochloride

N-(3-aminopropyl)-N-benzyl-6-methoxy-2H-chromene-3-carboxamide;hydrochloride (PubChem CID 120649645) has the molecular formula C21H25ClN2O3 and a molecular weight of 388.90 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-benzyl-6-methoxy-2H-chromene-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-benzyl-6-methoxy-2H-chromene-3-carboxamide;hydrochloride
PubChem CID120649645
Molecular FormulaC21H25ClN2O3
Molecular Weight388.90 g/mol
Exact Mass388.16
IUPAC NameN-(3-aminopropyl)-N-benzyl-6-methoxy-2H-chromene-3-carboxamide;hydrochloride
SMILESCOc1ccc2c(c1)C=C(C(=O)N(CCCN)Cc1ccccc1)CO2.Cl
InChIInChI=1S/C21H24N2O3.ClH/c1-25-19-8-9-20-17(13-19)12-18(15-26-20)21(24)23(11-5-10-22)14-16-6-3-2-4-7-16;/h2-4,6-9,12-13H,5,10-11,14-15,22H2,1H3;1H
InChIKeyVWUTVYALNNYNPT-UHFFFAOYSA-N
XLogP3.27
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenylethyl 6-methoxy-2H-chromene-3-carboxylate
CID 1478823
N-(3-aminopropyl)-N-benzyl-3,5-dimethoxybenzamide;hydrochloride
CID 120649276
N-(3-aminopropyl)-N-benzyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide;hydrochloride
CID 120648747
N-(3-aminopropyl)-N-benzyl-2,5-dimethylfuran-3-carboxamide
CID 107366158
N-(3-aminopropyl)-N-benzyl-4-(methoxymethyl)benzamide
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N-(3-aminopropyl)-N-[(3-methoxyphenyl)methyl]-2-phenylmethoxybenzamide
CID 143404934
N-(3-aminopropyl)-N-benzyl-4-(cyclopropylmethoxy)benzamide;hydrochloride
CID 120649857
N-(3-aminopropyl)-N-benzyl-4-methylbenzamide
CID 107365954
6-methoxy-N-piperidin-4-yl-N-propyl-2H-chromene-3-carboxamide;hydrochloride
CID 119824120
N-(3-aminopropyl)-N-benzyl-3-(3,5-dimethoxyphenyl)propanamide
CID 120648289
1-(6-phenoxy-2H-chromen-3-yl)ethanone
CID 14971313
4-(2-amino-2-oxoethoxy)-N-(3-aminopropyl)-N-benzyl-3-methoxybenzamide;hydrochloride
CID 120648526

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-benzyl-6-methoxy-2H-chromene-3-carboxamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)-N-benzyl-6-methoxy-2H-chromene-3-carboxamide;hydrochloride (CID 120649645) is N-(3-aminopropyl)-N-benzyl-6-methoxy-2H-chromene-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-N-benzyl-6-methoxy-2H-chromene-3-carboxamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)-N-benzyl-6-methoxy-2H-chromene-3-carboxamide;hydrochloride is COc1ccc2c(c1)C=C(C(=O)N(CCCN)Cc1ccccc1)CO2.Cl.
What is the InChIKey of N-(3-aminopropyl)-N-benzyl-6-methoxy-2H-chromene-3-carboxamide;hydrochloride?
The InChIKey is VWUTVYALNNYNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3.ClH/c1-25-19-8-9-20-17(13-19)12-18(15-26-20)21(24)23(11-5-10-22)14-16-6-3-2-4-7-16;/h2-4,6-9,12-13H,5,10-11,14-15,22H2,1H3;1H.
What are the key properties of N-(3-aminopropyl)-N-benzyl-6-methoxy-2H-chromene-3-carboxamide;hydrochloride?
N-(3-aminopropyl)-N-benzyl-6-methoxy-2H-chromene-3-carboxamide;hydrochloride has a molecular weight of 388.90 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-benzyl-6-methoxy-2H-chromene-3-carboxamide;hydrochloride is sourced from PubChem (CID 120649645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).