N-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dihydro-2H-chromene-4-carboxamide

C20H23NO4 — CID 110648760

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dihydro-2H-chromene-4-carboxamide
SMILESCOc1ccc(CCNC(=O)C2CCOc3ccccc32)cc1OC
InChIInChI=1S/C20H23NO4/c1-23-18-8-7-14(13-19(18)24-2)9-11-21-20(22)16-10-12-25-17-6-4-3-5-15(16)17/h3-8,13,16H,9-12H2,1-2H3,(H,21,22)
InChIKeyWQVTXYJUNCBDED-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.93
Rot. Bonds6

About N-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dihydro-2H-chromene-4-carboxamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dihydro-2H-chromene-4-carboxamide (PubChem CID 110648760) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dihydro-2H-chromene-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dihydro-2H-chromene-4-carboxamide
PubChem CID110648760
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dihydro-2H-chromene-4-carboxamide
SMILESCOc1ccc(CCNC(=O)C2CCOc3ccccc32)cc1OC
InChIInChI=1S/C20H23NO4/c1-23-18-8-7-14(13-19(18)24-2)9-11-21-20(22)16-10-12-25-17-6-4-3-5-15(16)17/h3-8,13,16H,9-12H2,1-2H3,(H,21,22)
InChIKeyWQVTXYJUNCBDED-UHFFFAOYSA-N
XLogP2.93
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 134002068
2-(3,4-dihydro-2H-chromen-4-yl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 110680468
N-(2-aminoethyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 63710623
(2R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9083429
N-[2-(2-methylprop-2-enoxy)ethyl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 115700275
N-(2-cyanoethyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 63708655
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 10546174
N-[(4-aminophenyl)methyl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 63710270
N-[(2S)-2-hydroxypropyl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 83030362
(3S)-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 8857035
3,4-dihydro-2H-chromen-4-yl-(2-methoxy-5-methylphenyl)methanone
CID 63709183
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 38210357

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dihydro-2H-chromene-4-carboxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dihydro-2H-chromene-4-carboxamide (CID 110648760) is N-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dihydro-2H-chromene-4-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dihydro-2H-chromene-4-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dihydro-2H-chromene-4-carboxamide is COc1ccc(CCNC(=O)C2CCOc3ccccc32)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dihydro-2H-chromene-4-carboxamide?
The InChIKey is WQVTXYJUNCBDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-23-18-8-7-14(13-19(18)24-2)9-11-21-20(22)16-10-12-25-17-6-4-3-5-15(16)17/h3-8,13,16H,9-12H2,1-2H3,(H,21,22).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dihydro-2H-chromene-4-carboxamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dihydro-2H-chromene-4-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dihydro-2H-chromene-4-carboxamide is sourced from PubChem (CID 110648760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).