N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-methoxy-4-prop-2-enoxybenzamide

C21H23NO4 — CID 51278188

IUPACN-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-methoxy-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)NCC2COc3ccccc3C2)cc1OC
InChIInChI=1S/C21H23NO4/c1-3-10-25-19-9-8-17(12-20(19)24-2)21(23)22-13-15-11-16-6-4-5-7-18(16)26-14-15/h3-9,12,15H,1,10-11,13-14H2,2H3,(H,22,23)
InChIKeyGGSCKUIQSYWGBD-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.24
Rot. Bonds7

About N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-methoxy-4-prop-2-enoxybenzamide

N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-methoxy-4-prop-2-enoxybenzamide (PubChem CID 51278188) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-methoxy-4-prop-2-enoxybenzamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-methoxy-4-prop-2-enoxybenzamide
PubChem CID51278188
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC NameN-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-methoxy-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)NCC2COc3ccccc3C2)cc1OC
InChIInChI=1S/C21H23NO4/c1-3-10-25-19-9-8-17(12-20(19)24-2)21(23)22-13-15-11-16-6-4-5-7-18(16)26-14-15/h3-9,12,15H,1,10-11,13-14H2,2H3,(H,22,23)
InChIKeyGGSCKUIQSYWGBD-UHFFFAOYSA-N
XLogP3.24
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 51266896
N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-4-methoxy-3-morpholin-4-ylbenzamide
CID 97277367
3-methoxy-N-(oxolan-2-ylmethyl)-4-prop-2-enoxybenzamide
CID 18160322
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3,4-dimethoxybenzamide
CID 845157
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-4-ethoxy-5-methoxy-2-nitrobenzamide
CID 55405943
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(trifluoromethyl)benzamide
CID 40918040
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-(hydroxymethyl)-3H-benzimidazole-5-carboxamide
CID 72935726
4-(difluoromethylsulfonyl)-N-(3,4-dihydro-2H-chromen-3-ylmethyl)benzamide
CID 51212101
1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(3,4-dihydro-2H-chromen-3-ylmethyl)urea
CID 55740715
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 35422359
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-methylbenzamide
CID 51211932
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-4-pyridin-2-ylsulfanylbenzamide
CID 51129710

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-methoxy-4-prop-2-enoxybenzamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-methoxy-4-prop-2-enoxybenzamide (CID 51278188) is N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-methoxy-4-prop-2-enoxybenzamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-methoxy-4-prop-2-enoxybenzamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-methoxy-4-prop-2-enoxybenzamide is C=CCOc1ccc(C(=O)NCC2COc3ccccc3C2)cc1OC.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-methoxy-4-prop-2-enoxybenzamide?
The InChIKey is GGSCKUIQSYWGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO4/c1-3-10-25-19-9-8-17(12-20(19)24-2)21(23)22-13-15-11-16-6-4-5-7-18(16)26-14-15/h3-9,12,15H,1,10-11,13-14H2,2H3,(H,22,23).
What are the key properties of N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-methoxy-4-prop-2-enoxybenzamide?
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-methoxy-4-prop-2-enoxybenzamide has a molecular weight of 353.42 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-methoxy-4-prop-2-enoxybenzamide is sourced from PubChem (CID 51278188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).