3-(3,4-dimethoxyphenyl)-N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]propanamide

C22H27NO5 — CID 72881967

IUPAC3-(3,4-dimethoxyphenyl)-N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]propanamide
SMILESCOc1ccc(CCC(=O)NCC2COc3c(cccc3OC)C2)cc1OC
InChIInChI=1S/C22H27NO5/c1-25-18-9-7-15(12-20(18)27-3)8-10-21(24)23-13-16-11-17-5-4-6-19(26-2)22(17)28-14-16/h4-7,9,12,16H,8,10-11,13-14H2,1-3H3,(H,23,24)
InChIKeyHWDROFOKKVGZQJ-UHFFFAOYSA-N
MW385.46 g/mol
LogP3.01
Rot. Bonds8

About 3-(3,4-dimethoxyphenyl)-N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]propanamide

3-(3,4-dimethoxyphenyl)-N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]propanamide (PubChem CID 72881967) has the molecular formula C22H27NO5 and a molecular weight of 385.46 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]propanamide
PubChem CID72881967
Molecular FormulaC22H27NO5
Molecular Weight385.46 g/mol
Exact Mass385.19
IUPAC Name3-(3,4-dimethoxyphenyl)-N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]propanamide
SMILESCOc1ccc(CCC(=O)NCC2COc3c(cccc3OC)C2)cc1OC
InChIInChI=1S/C22H27NO5/c1-25-18-9-7-15(12-20(18)27-3)8-10-21(24)23-13-16-11-17-5-4-6-19(26-2)22(17)28-14-16/h4-7,9,12,16H,8,10-11,13-14H2,1-3H3,(H,23,24)
InChIKeyHWDROFOKKVGZQJ-UHFFFAOYSA-N
XLogP3.01
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(dimethylamino)phenyl]-N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]propanamide
CID 72867682
N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(1H-pyrazol-4-yl)butanamide
CID 97205400
1-N'-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]cyclopropane-1,1-dicarboxamide
CID 72847861
N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(2-methyl-6-oxo-1-pyridinyl)propanamide
CID 97192487
N-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2-phenylsulfanylacetamide
CID 97278413
N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(2-oxoazepan-1-yl)propanamide
CID 97210078
N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 72839596
N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-(3-oxo-1H-isoindol-2-yl)propanamide
CID 72838629
N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-5-(methylsulfanylmethyl)furan-2-carboxamide
CID 97207845
N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide
CID 72931030
N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2,6-dimethylpyridine-4-carboxamide
CID 99929986
N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]piperidine-1-carboxamide
CID 72877803

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]propanamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]propanamide (CID 72881967) is 3-(3,4-dimethoxyphenyl)-N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]propanamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]propanamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]propanamide is COc1ccc(CCC(=O)NCC2COc3c(cccc3OC)C2)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]propanamide?
The InChIKey is HWDROFOKKVGZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO5/c1-25-18-9-7-15(12-20(18)27-3)8-10-21(24)23-13-16-11-17-5-4-6-19(26-2)22(17)28-14-16/h4-7,9,12,16H,8,10-11,13-14H2,1-3H3,(H,23,24).
What are the key properties of 3-(3,4-dimethoxyphenyl)-N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]propanamide?
3-(3,4-dimethoxyphenyl)-N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]propanamide has a molecular weight of 385.46 g/mol, XLogP of 3.01, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]propanamide is sourced from PubChem (CID 72881967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).