N-(3,4-dihydro-2H-chromen-6-ylmethyl)-3-(2-methoxyphenyl)propanamide

C20H23NO3 — CID 110784245

IUPACN-(3,4-dihydro-2H-chromen-6-ylmethyl)-3-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1CCC(=O)NCc1ccc2c(c1)CCCO2
InChIInChI=1S/C20H23NO3/c1-23-18-7-3-2-5-16(18)9-11-20(22)21-14-15-8-10-19-17(13-15)6-4-12-24-19/h2-3,5,7-8,10,13H,4,6,9,11-12,14H2,1H3,(H,21,22)
InChIKeyCTIMATOXPYQVOK-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.27
Rot. Bonds6

About N-(3,4-dihydro-2H-chromen-6-ylmethyl)-3-(2-methoxyphenyl)propanamide

N-(3,4-dihydro-2H-chromen-6-ylmethyl)-3-(2-methoxyphenyl)propanamide (PubChem CID 110784245) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-6-ylmethyl)-3-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-6-ylmethyl)-3-(2-methoxyphenyl)propanamide
PubChem CID110784245
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC NameN-(3,4-dihydro-2H-chromen-6-ylmethyl)-3-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1CCC(=O)NCc1ccc2c(c1)CCCO2
InChIInChI=1S/C20H23NO3/c1-23-18-7-3-2-5-16(18)9-11-20(22)21-14-15-8-10-19-17(13-15)6-4-12-24-19/h2-3,5,7-8,10,13H,4,6,9,11-12,14H2,1H3,(H,21,22)
InChIKeyCTIMATOXPYQVOK-UHFFFAOYSA-N
XLogP3.27
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dihydro-2H-chromen-6-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 110771122
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(2-methoxyphenyl)propanamide
CID 110792398
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-(2-methoxyphenoxy)acetamide
CID 110784239
2-(3,4-dihydro-2H-chromen-6-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 110771131
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 91831785
3-amino-N-(3,4-dihydro-2H-chromen-6-ylmethyl)propanamide
CID 82496307
3-(2-methoxyphenyl)-N-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]propanamide
CID 110783484
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-methoxybenzamide
CID 110787049
1-(3,4-dihydro-2H-chromen-6-yl)-2-(2-methoxyphenyl)ethanone
CID 61027750
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-(4-fluorophenoxy)acetamide
CID 110784257
2-(3,4-dihydro-2H-chromen-6-yl)-N-[3-(2-methoxyphenyl)-1-methylpyrazol-5-yl]acetamide
CID 46970894
3-(2-methoxyphenyl)-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]propanamide
CID 55932832

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-6-ylmethyl)-3-(2-methoxyphenyl)propanamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-6-ylmethyl)-3-(2-methoxyphenyl)propanamide (CID 110784245) is N-(3,4-dihydro-2H-chromen-6-ylmethyl)-3-(2-methoxyphenyl)propanamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-6-ylmethyl)-3-(2-methoxyphenyl)propanamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-6-ylmethyl)-3-(2-methoxyphenyl)propanamide is COc1ccccc1CCC(=O)NCc1ccc2c(c1)CCCO2.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-6-ylmethyl)-3-(2-methoxyphenyl)propanamide?
The InChIKey is CTIMATOXPYQVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-23-18-7-3-2-5-16(18)9-11-20(22)21-14-15-8-10-19-17(13-15)6-4-12-24-19/h2-3,5,7-8,10,13H,4,6,9,11-12,14H2,1H3,(H,21,22).
What are the key properties of N-(3,4-dihydro-2H-chromen-6-ylmethyl)-3-(2-methoxyphenyl)propanamide?
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-3-(2-methoxyphenyl)propanamide has a molecular weight of 325.41 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-6-ylmethyl)-3-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 110784245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).