N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3,4-dimethoxy-5-prop-2-enylbenzamide

C22H25NO4 — CID 51266896

IUPACN-(3,4-dihydro-2H-chromen-3-ylmethyl)-3,4-dimethoxy-5-prop-2-enylbenzamide
SMILESC=CCc1cc(C(=O)NCC2COc3ccccc3C2)cc(OC)c1OC
InChIInChI=1S/C22H25NO4/c1-4-7-17-11-18(12-20(25-2)21(17)26-3)22(24)23-13-15-10-16-8-5-6-9-19(16)27-14-15/h4-6,8-9,11-12,15H,1,7,10,13-14H2,2-3H3,(H,23,24)
InChIKeyPLZNBEGJFHFRES-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.41
Rot. Bonds7

About N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3,4-dimethoxy-5-prop-2-enylbenzamide

N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3,4-dimethoxy-5-prop-2-enylbenzamide (PubChem CID 51266896) has the molecular formula C22H25NO4 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3,4-dimethoxy-5-prop-2-enylbenzamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-3-ylmethyl)-3,4-dimethoxy-5-prop-2-enylbenzamide
PubChem CID51266896
Molecular FormulaC22H25NO4
Molecular Weight367.45 g/mol
Exact Mass367.18
IUPAC NameN-(3,4-dihydro-2H-chromen-3-ylmethyl)-3,4-dimethoxy-5-prop-2-enylbenzamide
SMILESC=CCc1cc(C(=O)NCC2COc3ccccc3C2)cc(OC)c1OC
InChIInChI=1S/C22H25NO4/c1-4-7-17-11-18(12-20(25-2)21(17)26-3)22(24)23-13-15-10-16-8-5-6-9-19(16)27-14-15/h4-6,8-9,11-12,15H,1,7,10,13-14H2,2-3H3,(H,23,24)
InChIKeyPLZNBEGJFHFRES-UHFFFAOYSA-N
XLogP3.41
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.41
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-methoxy-4-prop-2-enoxybenzamide
CID 51278188
N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3,4,5-trimethoxybenzamide
CID 39237930
N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-4-methoxy-3-morpholin-4-ylbenzamide
CID 97277367
N-[[2-(diethylaminomethyl)phenyl]methyl]-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 24551115
3,4-dimethoxy-N-(3-phenylpropyl)-5-prop-2-enylbenzamide
CID 35806874
3-chloro-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4,5-dimethoxybenzamide
CID 8759633
3,4-dimethoxy-N-(2-methylpropyl)-5-prop-2-enylbenzamide
CID 18106056
[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-[4-(3,4-dimethoxy-5-prop-2-enylbenzoyl)piperazin-1-yl]methanone
CID 31957121
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-[[(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

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3,4-dimethoxy-5-prop-2-enylbenzamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3,4-dimethoxy-5-prop-2-enylbenzamide (CID 51266896) is N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3,4-dimethoxy-5-prop-2-enylbenzamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3,4-dimethoxy-5-prop-2-enylbenzamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3,4-dimethoxy-5-prop-2-enylbenzamide is C=CCc1cc(C(=O)NCC2COc3ccccc3C2)cc(OC)c1OC.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3,4-dimethoxy-5-prop-2-enylbenzamide?
The InChIKey is PLZNBEGJFHFRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO4/c1-4-7-17-11-18(12-20(25-2)21(17)26-3)22(24)23-13-15-10-16-8-5-6-9-19(16)27-14-15/h4-6,8-9,11-12,15H,1,7,10,13-14H2,2-3H3,(H,23,24).
What are the key properties of N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3,4-dimethoxy-5-prop-2-enylbenzamide?
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3,4-dimethoxy-5-prop-2-enylbenzamide has a molecular weight of 367.45 g/mol, XLogP of 3.41, 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)-3,4-dimethoxy-5-prop-2-enylbenzamide is sourced from PubChem (CID 51266896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).