N-[2-(ethylaminomethyl)phenyl]-8-methoxy-2H-chromene-3-carboxamide

C20H22N2O3 — CID 119438960

IUPACN-[2-(ethylaminomethyl)phenyl]-8-methoxy-2H-chromene-3-carboxamide
SMILESCCNCc1ccccc1NC(=O)C1=Cc2cccc(OC)c2OC1
InChIInChI=1S/C20H22N2O3/c1-3-21-12-15-7-4-5-9-17(15)22-20(23)16-11-14-8-6-10-18(24-2)19(14)25-13-16/h4-11,21H,3,12-13H2,1-2H3,(H,22,23)
InChIKeyZZMJNZRESOFBHI-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.22
Rot. Bonds6

About N-[2-(ethylaminomethyl)phenyl]-8-methoxy-2H-chromene-3-carboxamide

N-[2-(ethylaminomethyl)phenyl]-8-methoxy-2H-chromene-3-carboxamide (PubChem CID 119438960) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[2-(ethylaminomethyl)phenyl]-8-methoxy-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(ethylaminomethyl)phenyl]-8-methoxy-2H-chromene-3-carboxamide
PubChem CID119438960
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC NameN-[2-(ethylaminomethyl)phenyl]-8-methoxy-2H-chromene-3-carboxamide
SMILESCCNCc1ccccc1NC(=O)C1=Cc2cccc(OC)c2OC1
InChIInChI=1S/C20H22N2O3/c1-3-21-12-15-7-4-5-9-17(15)22-20(23)16-11-14-8-6-10-18(24-2)19(14)25-13-16/h4-11,21H,3,12-13H2,1-2H3,(H,22,23)
InChIKeyZZMJNZRESOFBHI-UHFFFAOYSA-N
XLogP3.22
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(aminomethyl)pentan-3-yl]-8-methoxy-2H-chromene-3-carboxamide;hydrochloride
CID 119569054
N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-8-ethoxy-2H-chromene-3-carboxamide
CID 55712547
N-cyclopentyl-8-methoxy-2H-chromene-3-carboxamide
CID 22578405
N-(2-ethoxyphenyl)-2H-chromene-3-carboxamide
CID 7464979
benzyl 8-methoxy-2H-chromene-3-carboxylate
CID 1475910
1-[(8-methoxy-2H-chromene-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119113812
methyl 4-(difluoromethoxy)-2-[(8-ethoxy-2H-chromene-3-carbonyl)amino]-5-methoxybenzoate
CID 55758851
N-[1-(aminomethyl)cyclopentyl]-8-methoxy-2H-chromene-3-carboxamide;hydrochloride
CID 119565259
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
N-[2-(ethylaminomethyl)phenyl]-1,3-benzodioxole-4-carboxamide;hydrochloride
CID 126766305
(E)-2-[(8-methoxy-2H-chromene-3-carbonyl)amino]hex-4-enoic acid
CID 120693211

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylaminomethyl)phenyl]-8-methoxy-2H-chromene-3-carboxamide?
The IUPAC name of N-[2-(ethylaminomethyl)phenyl]-8-methoxy-2H-chromene-3-carboxamide (CID 119438960) is N-[2-(ethylaminomethyl)phenyl]-8-methoxy-2H-chromene-3-carboxamide.
What is the SMILES notation for N-[2-(ethylaminomethyl)phenyl]-8-methoxy-2H-chromene-3-carboxamide?
The canonical SMILES for N-[2-(ethylaminomethyl)phenyl]-8-methoxy-2H-chromene-3-carboxamide is CCNCc1ccccc1NC(=O)C1=Cc2cccc(OC)c2OC1.
What is the InChIKey of N-[2-(ethylaminomethyl)phenyl]-8-methoxy-2H-chromene-3-carboxamide?
The InChIKey is ZZMJNZRESOFBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-3-21-12-15-7-4-5-9-17(15)22-20(23)16-11-14-8-6-10-18(24-2)19(14)25-13-16/h4-11,21H,3,12-13H2,1-2H3,(H,22,23).
What are the key properties of N-[2-(ethylaminomethyl)phenyl]-8-methoxy-2H-chromene-3-carboxamide?
N-[2-(ethylaminomethyl)phenyl]-8-methoxy-2H-chromene-3-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylaminomethyl)phenyl]-8-methoxy-2H-chromene-3-carboxamide is sourced from PubChem (CID 119438960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).