N-ethyl-N-[1-(3-methoxyphenyl)ethyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide

C22H25NO4 — CID 55593136

IUPACN-ethyl-N-[1-(3-methoxyphenyl)ethyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide
SMILESCCN(C(=O)C1(C)Cc2ccccc2C(=O)O1)C(C)c1cccc(OC)c1
InChIInChI=1S/C22H25NO4/c1-5-23(15(2)16-10-8-11-18(13-16)26-4)21(25)22(3)14-17-9-6-7-12-19(17)20(24)27-22/h6-13,15H,5,14H2,1-4H3
InChIKeySOIDVHXHQLMQKI-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.78
Rot. Bonds5

About N-ethyl-N-[1-(3-methoxyphenyl)ethyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide

N-ethyl-N-[1-(3-methoxyphenyl)ethyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide (PubChem CID 55593136) has the molecular formula C22H25NO4 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-ethyl-N-[1-(3-methoxyphenyl)ethyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[1-(3-methoxyphenyl)ethyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide
PubChem CID55593136
Molecular FormulaC22H25NO4
Molecular Weight367.45 g/mol
Exact Mass367.18
IUPAC NameN-ethyl-N-[1-(3-methoxyphenyl)ethyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide
SMILESCCN(C(=O)C1(C)Cc2ccccc2C(=O)O1)C(C)c1cccc(OC)c1
InChIInChI=1S/C22H25NO4/c1-5-23(15(2)16-10-8-11-18(13-16)26-4)21(25)22(3)14-17-9-6-7-12-19(17)20(24)27-22/h6-13,15H,5,14H2,1-4H3
InChIKeySOIDVHXHQLMQKI-UHFFFAOYSA-N
XLogP3.78
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-(3-methoxyphenyl)-3-[(3-methyl-1-oxo-4H-isochromene-3-carbonyl)amino]propanoate
CID 55876680
N-ethyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]oxane-4-carboxamide
CID 52574182
2-amino-N-ethyl-N-[1-(3-methoxyphenyl)ethyl]acetamide;hydrochloride
CID 119295043
cis-(1S,2R)-2-[ethyl-[(1R)-1-(3-methoxyphenyl)ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125131878
3-bromo-N-ethyl-N-[1-(3-methoxyphenyl)ethyl]adamantane-1-carboxamide
CID 55592209
N-ethyl-N-[1-(3-methoxyphenyl)ethyl]-2,5-dimethylbenzamide
CID 55591908
N-ethyl-3-iodo-N-[1-(3-methoxyphenyl)ethyl]benzamide
CID 55593336
N-ethyl-2-(3-fluorophenoxy)-N-[1-(3-methoxyphenyl)ethyl]propanamide
CID 78853259
3-[[ethyl-[1-(3-methoxyphenyl)ethyl]carbamoyl]amino]propanoic acid
CID 122019316
N-(2,5-dimethylphenyl)-3-methyl-1-oxo-N-propan-2-yl-4H-isochromene-3-carboxamide
CID 56501843
2-(2-bromophenoxy)-N-ethyl-N-[1-(3-methoxyphenyl)ethyl]acetamide
CID 112821920
N-ethyl-2,4-difluoro-N-[1-(3-methoxyphenyl)ethyl]benzamide
CID 75807721

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[1-(3-methoxyphenyl)ethyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide?
The IUPAC name of N-ethyl-N-[1-(3-methoxyphenyl)ethyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide (CID 55593136) is N-ethyl-N-[1-(3-methoxyphenyl)ethyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide.
What is the SMILES notation for N-ethyl-N-[1-(3-methoxyphenyl)ethyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide?
The canonical SMILES for N-ethyl-N-[1-(3-methoxyphenyl)ethyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide is CCN(C(=O)C1(C)Cc2ccccc2C(=O)O1)C(C)c1cccc(OC)c1.
What is the InChIKey of N-ethyl-N-[1-(3-methoxyphenyl)ethyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide?
The InChIKey is SOIDVHXHQLMQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO4/c1-5-23(15(2)16-10-8-11-18(13-16)26-4)21(25)22(3)14-17-9-6-7-12-19(17)20(24)27-22/h6-13,15H,5,14H2,1-4H3.
What are the key properties of N-ethyl-N-[1-(3-methoxyphenyl)ethyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide?
N-ethyl-N-[1-(3-methoxyphenyl)ethyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[1-(3-methoxyphenyl)ethyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide is sourced from PubChem (CID 55593136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).