N-[1-(aminomethyl)cyclopentyl]-8-methoxy-2H-chromene-3-carboxamide;hydrochloride

C17H23ClN2O3 — CID 119565259

IUPACN-[1-(aminomethyl)cyclopentyl]-8-methoxy-2H-chromene-3-carboxamide;hydrochloride
SMILESCOc1cccc2c1OCC(C(=O)NC1(CN)CCCC1)=C2.Cl
InChIInChI=1S/C17H22N2O3.ClH/c1-21-14-6-4-5-12-9-13(10-22-15(12)14)16(20)19-17(11-18)7-2-3-8-17;/h4-6,9H,2-3,7-8,10-11,18H2,1H3,(H,19,20);1H
InChIKeyZNWRWGCJKYATRJ-UHFFFAOYSA-N
MW338.84 g/mol
LogP2.28
Rot. Bonds4

About N-[1-(aminomethyl)cyclopentyl]-8-methoxy-2H-chromene-3-carboxamide;hydrochloride

N-[1-(aminomethyl)cyclopentyl]-8-methoxy-2H-chromene-3-carboxamide;hydrochloride (PubChem CID 119565259) has the molecular formula C17H23ClN2O3 and a molecular weight of 338.84 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-8-methoxy-2H-chromene-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-8-methoxy-2H-chromene-3-carboxamide;hydrochloride
PubChem CID119565259
Molecular FormulaC17H23ClN2O3
Molecular Weight338.84 g/mol
Exact Mass338.14
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-8-methoxy-2H-chromene-3-carboxamide;hydrochloride
SMILESCOc1cccc2c1OCC(C(=O)NC1(CN)CCCC1)=C2.Cl
InChIInChI=1S/C17H22N2O3.ClH/c1-21-14-6-4-5-12-9-13(10-22-15(12)14)16(20)19-17(11-18)7-2-3-8-17;/h4-6,9H,2-3,7-8,10-11,18H2,1H3,(H,19,20);1H
InChIKeyZNWRWGCJKYATRJ-UHFFFAOYSA-N
XLogP2.28
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(8-methoxy-2H-chromene-3-carbonyl)amino]cyclobutyl]acetic acid
CID 119217095
1-[(8-methoxy-2H-chromene-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119113812
N-[3-(aminomethyl)pentan-3-yl]-8-methoxy-2H-chromene-3-carboxamide;hydrochloride
CID 119569054
N-[1-(aminomethyl)cyclopentyl]-2,6-dimethoxybenzamide
CID 63755237
8-methoxy-N-[2-(methylamino)ethyl]-2H-chromene-3-carboxamide;hydrochloride
CID 119500438
N-(1-amino-2,3-dimethylbutan-2-yl)-8-methoxy-2H-chromene-3-carboxamide;hydrochloride
CID 119605897
N-cyclopentyl-8-methoxy-2H-chromene-3-carboxamide
CID 22578405
N-(1-amino-2-cyclopropylpropan-2-yl)-8-methoxy-2H-chromene-3-carboxamide
CID 119572685
3-ethoxy-1-[(8-methoxy-2H-chromene-3-carbonyl)amino]-2,2-dimethylcyclobutane-1-carboxylic acid
CID 120699808
8-methoxy-2H-chromene-3-carboxylate
CID 6933959
N-[1-(aminomethyl)cyclohexyl]-2-fluoro-6-methoxybenzamide
CID 65432344
N-[1-(aminomethyl)cyclopentyl]-4-methoxybenzamide;hydrochloride
CID 119566284

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-8-methoxy-2H-chromene-3-carboxamide;hydrochloride?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-8-methoxy-2H-chromene-3-carboxamide;hydrochloride (CID 119565259) is N-[1-(aminomethyl)cyclopentyl]-8-methoxy-2H-chromene-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-8-methoxy-2H-chromene-3-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-8-methoxy-2H-chromene-3-carboxamide;hydrochloride is COc1cccc2c1OCC(C(=O)NC1(CN)CCCC1)=C2.Cl.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-8-methoxy-2H-chromene-3-carboxamide;hydrochloride?
The InChIKey is ZNWRWGCJKYATRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3.ClH/c1-21-14-6-4-5-12-9-13(10-22-15(12)14)16(20)19-17(11-18)7-2-3-8-17;/h4-6,9H,2-3,7-8,10-11,18H2,1H3,(H,19,20);1H.
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-8-methoxy-2H-chromene-3-carboxamide;hydrochloride?
N-[1-(aminomethyl)cyclopentyl]-8-methoxy-2H-chromene-3-carboxamide;hydrochloride has a molecular weight of 338.84 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-8-methoxy-2H-chromene-3-carboxamide;hydrochloride is sourced from PubChem (CID 119565259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).