N-(3-aminobutyl)-8-methoxy-2H-chromene-3-carboxamide;hydrochloride

C15H21ClN2O3 — CID 119495370

IUPACN-(3-aminobutyl)-8-methoxy-2H-chromene-3-carboxamide;hydrochloride
SMILESCOc1cccc2c1OCC(C(=O)NCCC(C)N)=C2.Cl
InChIInChI=1S/C15H20N2O3.ClH/c1-10(16)6-7-17-15(18)12-8-11-4-3-5-13(19-2)14(11)20-9-12;/h3-5,8,10H,6-7,9,16H2,1-2H3,(H,17,18);1H
InChIKeySLRCGFYZDQZDHD-UHFFFAOYSA-N
MW312.80 g/mol
LogP1.75
Rot. Bonds5

About N-(3-aminobutyl)-8-methoxy-2H-chromene-3-carboxamide;hydrochloride

N-(3-aminobutyl)-8-methoxy-2H-chromene-3-carboxamide;hydrochloride (PubChem CID 119495370) has the molecular formula C15H21ClN2O3 and a molecular weight of 312.80 g/mol. Its IUPAC name is N-(3-aminobutyl)-8-methoxy-2H-chromene-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminobutyl)-8-methoxy-2H-chromene-3-carboxamide;hydrochloride
PubChem CID119495370
Molecular FormulaC15H21ClN2O3
Molecular Weight312.80 g/mol
Exact Mass312.12
IUPAC NameN-(3-aminobutyl)-8-methoxy-2H-chromene-3-carboxamide;hydrochloride
SMILESCOc1cccc2c1OCC(C(=O)NCCC(C)N)=C2.Cl
InChIInChI=1S/C15H20N2O3.ClH/c1-10(16)6-7-17-15(18)12-8-11-4-3-5-13(19-2)14(11)20-9-12;/h3-5,8,10H,6-7,9,16H2,1-2H3,(H,17,18);1H
InChIKeySLRCGFYZDQZDHD-UHFFFAOYSA-N
XLogP1.75
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 119500438
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8-methoxy-N-(2-pyrrolidin-3-ylethyl)-2H-chromene-3-carboxamide
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N-[3-(aminomethyl)pentan-3-yl]-8-methoxy-2H-chromene-3-carboxamide;hydrochloride
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benzyl 8-methoxy-2H-chromene-3-carboxylate
CID 1475910
N-cyclopentyl-8-methoxy-2H-chromene-3-carboxamide
CID 22578405
N-[1-(aminomethyl)cyclopentyl]-8-methoxy-2H-chromene-3-carboxamide;hydrochloride
CID 119565259
N-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]-8-methoxy-2H-chromene-3-carboxamide
CID 134131481
N-[2-(ethylaminomethyl)phenyl]-8-methoxy-2H-chromene-3-carboxamide
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N-(1-amino-2-cyclopropylpropan-2-yl)-8-methoxy-2H-chromene-3-carboxamide
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N-(3-hydroxybutyl)-2H-chromene-3-carboxamide
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CID 120693211

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-8-methoxy-2H-chromene-3-carboxamide;hydrochloride?
The IUPAC name of N-(3-aminobutyl)-8-methoxy-2H-chromene-3-carboxamide;hydrochloride (CID 119495370) is N-(3-aminobutyl)-8-methoxy-2H-chromene-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-aminobutyl)-8-methoxy-2H-chromene-3-carboxamide;hydrochloride?
The canonical SMILES for N-(3-aminobutyl)-8-methoxy-2H-chromene-3-carboxamide;hydrochloride is COc1cccc2c1OCC(C(=O)NCCC(C)N)=C2.Cl.
What is the InChIKey of N-(3-aminobutyl)-8-methoxy-2H-chromene-3-carboxamide;hydrochloride?
The InChIKey is SLRCGFYZDQZDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3.ClH/c1-10(16)6-7-17-15(18)12-8-11-4-3-5-13(19-2)14(11)20-9-12;/h3-5,8,10H,6-7,9,16H2,1-2H3,(H,17,18);1H.
What are the key properties of N-(3-aminobutyl)-8-methoxy-2H-chromene-3-carboxamide;hydrochloride?
N-(3-aminobutyl)-8-methoxy-2H-chromene-3-carboxamide;hydrochloride has a molecular weight of 312.80 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-8-methoxy-2H-chromene-3-carboxamide;hydrochloride is sourced from PubChem (CID 119495370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).