N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-3-(4-methoxyphenyl)propanamide

C20H23NO4 — CID 90535730

IUPACN-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NCC2(O)CCOc3ccccc32)cc1
InChIInChI=1S/C20H23NO4/c1-24-16-9-6-15(7-10-16)8-11-19(22)21-14-20(23)12-13-25-18-5-3-2-4-17(18)20/h2-7,9-10,23H,8,11-14H2,1H3,(H,21,22)
InChIKeyZJPCMWLBIGPOCV-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.41
Rot. Bonds6

About N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-3-(4-methoxyphenyl)propanamide

N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-3-(4-methoxyphenyl)propanamide (PubChem CID 90535730) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-3-(4-methoxyphenyl)propanamide
PubChem CID90535730
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC NameN-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NCC2(O)CCOc3ccccc32)cc1
InChIInChI=1S/C20H23NO4/c1-24-16-9-6-15(7-10-16)8-11-19(22)21-14-20(23)12-13-25-18-5-3-2-4-17(18)20/h2-7,9-10,23H,8,11-14H2,1H3,(H,21,22)
InChIKeyZJPCMWLBIGPOCV-UHFFFAOYSA-N
XLogP2.41
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-3-(4-methoxyphenyl)propanamide
CID 95983104
N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-3,5-dimethoxybenzamide
CID 90535736
1-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-3-(3-methoxyphenyl)urea
CID 90535975
N-[[1-(chloromethyl)cyclopentyl]methyl]-3-(4-methoxyphenyl)propanamide
CID 115363823
N-[(1-hydroxycycloheptyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 111428672
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-(4-methoxyphenyl)propanamide
CID 107301592
N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-3-phenylpropanamide
CID 27448950
N-[[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-2-thiophen-2-ylacetamide
CID 95984810
5-chloro-N-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-2-methoxybenzamide
CID 95984859
N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]furan-2-carboxamide
CID 71788867
3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 898309
N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-2,4,6-trimethylbenzamide
CID 90535711

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-3-(4-methoxyphenyl)propanamide (CID 90535730) is N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-3-(4-methoxyphenyl)propanamide is COc1ccc(CCC(=O)NCC2(O)CCOc3ccccc32)cc1.
What is the InChIKey of N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-3-(4-methoxyphenyl)propanamide?
The InChIKey is ZJPCMWLBIGPOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-24-16-9-6-15(7-10-16)8-11-19(22)21-14-20(23)12-13-25-18-5-3-2-4-17(18)20/h2-7,9-10,23H,8,11-14H2,1H3,(H,21,22).
What are the key properties of N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-3-(4-methoxyphenyl)propanamide?
N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-3-(4-methoxyphenyl)propanamide has a molecular weight of 341.41 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 90535730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).