3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]propanamide

C22H25NO4 — CID 125429260

IUPAC3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]propanamide
SMILESCOc1cc2c(cc1OC)[C@@H](NC(=O)CCc1ccc3c(c1)CCO3)CC2
InChIInChI=1S/C22H25NO4/c1-25-20-12-15-5-6-18(17(15)13-21(20)26-2)23-22(24)8-4-14-3-7-19-16(11-14)9-10-27-19/h3,7,11-13,18H,4-6,8-10H2,1-2H3,(H,23,24)/t18-/m0/s1
InChIKeyQXRNYTTXTXPHJJ-SFHVURJKSA-N
MW367.45 g/mol
LogP3.38
Rot. Bonds6

About 3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]propanamide

3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]propanamide (PubChem CID 125429260) has the molecular formula C22H25NO4 and a molecular weight of 367.45 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]propanamide.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]propanamide
PubChem CID125429260
Molecular FormulaC22H25NO4
Molecular Weight367.45 g/mol
Exact Mass367.18
IUPAC Name3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]propanamide
SMILESCOc1cc2c(cc1OC)[C@@H](NC(=O)CCc1ccc3c(c1)CCO3)CC2
InChIInChI=1S/C22H25NO4/c1-25-20-12-15-5-6-18(17(15)13-21(20)26-2)23-22(24)8-4-14-3-7-19-16(11-14)9-10-27-19/h3,7,11-13,18H,4-6,8-10H2,1-2H3,(H,23,24)/t18-/m0/s1
InChIKeyQXRNYTTXTXPHJJ-SFHVURJKSA-N
XLogP3.38
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-3-(2-methoxyphenyl)propanamide
CID 110399723
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 91831785
N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propanamide
CID 125431179
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-(4-fluorophenyl)acetamide
CID 110399683
3-(3,4-dimethoxyphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 4826101
N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 125432396
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 110792396
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
CID 128963304
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(2-methoxyphenyl)propanamide
CID 110792398
N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-3-(1H-indol-3-yl)propanamide
CID 125430344
1-(2,3-dihydro-1-benzofuran-5-yl)-4-methoxypentan-3-one
CID 79617126
7-[3-(2,3-dihydro-1H-inden-1-ylamino)-3-oxopropyl]-N-ethyl-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide
CID 91921114

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]propanamide?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]propanamide (CID 125429260) is 3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]propanamide.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]propanamide?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]propanamide is COc1cc2c(cc1OC)[C@@H](NC(=O)CCc1ccc3c(c1)CCO3)CC2.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]propanamide?
The InChIKey is QXRNYTTXTXPHJJ-SFHVURJKSA-N. The full InChI is InChI=1S/C22H25NO4/c1-25-20-12-15-5-6-18(17(15)13-21(20)26-2)23-22(24)8-4-14-3-7-19-16(11-14)9-10-27-19/h3,7,11-13,18H,4-6,8-10H2,1-2H3,(H,23,24)/t18-/m0/s1.
What are the key properties of 3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]propanamide?
3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]propanamide has a molecular weight of 367.45 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]propanamide is sourced from PubChem (CID 125429260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).