N-(3-amino-4-methylpentyl)-6-methoxy-N-methyl-2H-chromene-3-carboxamide;hydrochloride

C18H27ClN2O3 — CID 119658659

IUPACN-(3-amino-4-methylpentyl)-6-methoxy-N-methyl-2H-chromene-3-carboxamide;hydrochloride
SMILESCOc1ccc2c(c1)C=C(C(=O)N(C)CCC(N)C(C)C)CO2.Cl
InChIInChI=1S/C18H26N2O3.ClH/c1-12(2)16(19)7-8-20(3)18(21)14-9-13-10-15(22-4)5-6-17(13)23-11-14;/h5-6,9-10,12,16H,7-8,11,19H2,1-4H3;1H
InChIKeyKPOKFBSTFHHAJX-UHFFFAOYSA-N
MW354.88 g/mol
LogP2.72
Rot. Bonds6

About N-(3-amino-4-methylpentyl)-6-methoxy-N-methyl-2H-chromene-3-carboxamide;hydrochloride

N-(3-amino-4-methylpentyl)-6-methoxy-N-methyl-2H-chromene-3-carboxamide;hydrochloride (PubChem CID 119658659) has the molecular formula C18H27ClN2O3 and a molecular weight of 354.88 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-6-methoxy-N-methyl-2H-chromene-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-6-methoxy-N-methyl-2H-chromene-3-carboxamide;hydrochloride
PubChem CID119658659
Molecular FormulaC18H27ClN2O3
Molecular Weight354.88 g/mol
Exact Mass354.17
IUPAC NameN-(3-amino-4-methylpentyl)-6-methoxy-N-methyl-2H-chromene-3-carboxamide;hydrochloride
SMILESCOc1ccc2c(c1)C=C(C(=O)N(C)CCC(N)C(C)C)CO2.Cl
InChIInChI=1S/C18H26N2O3.ClH/c1-12(2)16(19)7-8-20(3)18(21)14-9-13-10-15(22-4)5-6-17(13)23-11-14;/h5-6,9-10,12,16H,7-8,11,19H2,1-4H3;1H
InChIKeyKPOKFBSTFHHAJX-UHFFFAOYSA-N
XLogP2.72
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.88
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-4-methylpentyl)-5-methoxy-N-methyl-2-nitrobenzamide;hydrochloride
CID 119657897
N-(3-aminopropyl)-N-benzyl-6-methoxy-2H-chromene-3-carboxamide;hydrochloride
CID 120649645
N-(3-amino-4-methylpentyl)-5-(4-methoxyphenyl)-N-methyl-1H-pyrazole-4-carboxamide;hydrochloride
CID 119658474
N-[(2R)-2-(ethylamino)propyl]-6-methoxy-2H-chromene-3-carboxamide
CID 120654267
6-methoxy-N-piperidin-4-yl-N-propyl-2H-chromene-3-carboxamide;hydrochloride
CID 119824120
2-phenylethyl 6-methoxy-2H-chromene-3-carboxylate
CID 1478823
N-(3-amino-4-methylpentyl)-4-(4-methoxyphenyl)-N,5-dimethylthiophene-2-carboxamide;hydrochloride
CID 119657241
N-[(4-hydroxypyrrolidin-3-yl)methyl]-6-methoxy-2H-chromene-3-carboxamide
CID 120947707
N-(3-amino-4-methylpentyl)-4-(4-methoxyphenyl)-N-methyl-4-oxobutanamide
CID 119659123
N-[(4-chlorophenyl)methyl]-6-methoxy-2H-chromene-3-carboxamide
CID 1478817
N-(3-amino-4-methylpentyl)-2,5-difluoro-N-methylbenzamide;hydrochloride
CID 119658393
N-(3-amino-4-methylpentyl)-N,3,5-trimethylbenzamide;hydrochloride
CID 119658927

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-6-methoxy-N-methyl-2H-chromene-3-carboxamide;hydrochloride?
The IUPAC name of N-(3-amino-4-methylpentyl)-6-methoxy-N-methyl-2H-chromene-3-carboxamide;hydrochloride (CID 119658659) is N-(3-amino-4-methylpentyl)-6-methoxy-N-methyl-2H-chromene-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-6-methoxy-N-methyl-2H-chromene-3-carboxamide;hydrochloride?
The canonical SMILES for N-(3-amino-4-methylpentyl)-6-methoxy-N-methyl-2H-chromene-3-carboxamide;hydrochloride is COc1ccc2c(c1)C=C(C(=O)N(C)CCC(N)C(C)C)CO2.Cl.
What is the InChIKey of N-(3-amino-4-methylpentyl)-6-methoxy-N-methyl-2H-chromene-3-carboxamide;hydrochloride?
The InChIKey is KPOKFBSTFHHAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3.ClH/c1-12(2)16(19)7-8-20(3)18(21)14-9-13-10-15(22-4)5-6-17(13)23-11-14;/h5-6,9-10,12,16H,7-8,11,19H2,1-4H3;1H.
What are the key properties of N-(3-amino-4-methylpentyl)-6-methoxy-N-methyl-2H-chromene-3-carboxamide;hydrochloride?
N-(3-amino-4-methylpentyl)-6-methoxy-N-methyl-2H-chromene-3-carboxamide;hydrochloride has a molecular weight of 354.88 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-6-methoxy-N-methyl-2H-chromene-3-carboxamide;hydrochloride is sourced from PubChem (CID 119658659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).