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

C21H25NO4 — CID 91831785

IUPACN-(3,4-dihydro-2H-chromen-6-ylmethyl)-3-(3,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NCc2ccc3c(c2)CCCO3)cc1OC
InChIInChI=1S/C21H25NO4/c1-24-19-9-5-15(13-20(19)25-2)7-10-21(23)22-14-16-6-8-18-17(12-16)4-3-11-26-18/h5-6,8-9,12-13H,3-4,7,10-11,14H2,1-2H3,(H,22,23)
InChIKeyTWGHMKDKMAJTOA-UHFFFAOYSA-N
MW355.43 g/mol
LogP3.28
Rot. Bonds7

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

N-(3,4-dihydro-2H-chromen-6-ylmethyl)-3-(3,4-dimethoxyphenyl)propanamide (PubChem CID 91831785) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-6-ylmethyl)-3-(3,4-dimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-6-ylmethyl)-3-(3,4-dimethoxyphenyl)propanamide
PubChem CID91831785
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC NameN-(3,4-dihydro-2H-chromen-6-ylmethyl)-3-(3,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NCc2ccc3c(c2)CCCO3)cc1OC
InChIInChI=1S/C21H25NO4/c1-24-19-9-5-15(13-20(19)25-2)7-10-21(23)22-14-16-6-8-18-17(12-16)4-3-11-26-18/h5-6,8-9,12-13H,3-4,7,10-11,14H2,1-2H3,(H,22,23)
InChIKeyTWGHMKDKMAJTOA-UHFFFAOYSA-N
XLogP3.28
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dihydro-2H-chromen-6-ylmethyl)-3-(2-methoxyphenyl)propanamide
CID 110784245
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-(2-methoxyphenoxy)acetamide
CID 110784239
N-(1,3-benzodioxol-5-ylmethyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 2640900
N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 31739725
3-amino-N-(3,4-dihydro-2H-chromen-6-ylmethyl)propanamide
CID 82496307
N-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]butanamide
CID 110790414
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-(4-methoxyphenyl)propanamide
CID 110792396
3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]propanamide
CID 125429260
N-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide
CID 803893
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(2-methoxyphenyl)propanamide
CID 110792398
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pentanamide
CID 110787032

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-6-ylmethyl)-3-(3,4-dimethoxyphenyl)propanamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-6-ylmethyl)-3-(3,4-dimethoxyphenyl)propanamide (CID 91831785) is N-(3,4-dihydro-2H-chromen-6-ylmethyl)-3-(3,4-dimethoxyphenyl)propanamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-6-ylmethyl)-3-(3,4-dimethoxyphenyl)propanamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-6-ylmethyl)-3-(3,4-dimethoxyphenyl)propanamide is COc1ccc(CCC(=O)NCc2ccc3c(c2)CCCO3)cc1OC.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-6-ylmethyl)-3-(3,4-dimethoxyphenyl)propanamide?
The InChIKey is TWGHMKDKMAJTOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO4/c1-24-19-9-5-15(13-20(19)25-2)7-10-21(23)22-14-16-6-8-18-17(12-16)4-3-11-26-18/h5-6,8-9,12-13H,3-4,7,10-11,14H2,1-2H3,(H,22,23).
What are the key properties of N-(3,4-dihydro-2H-chromen-6-ylmethyl)-3-(3,4-dimethoxyphenyl)propanamide?
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-3-(3,4-dimethoxyphenyl)propanamide has a molecular weight of 355.43 g/mol, XLogP of 3.28, 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-6-ylmethyl)-3-(3,4-dimethoxyphenyl)propanamide is sourced from PubChem (CID 91831785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).