(2S)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2,3-dihydro-1-benzofuran-2-carboxamide

C18H17NO3 — CID 9091701

IUPAC(2S)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(N[C@H]1CCOc2ccccc21)[C@@H]1Cc2ccccc2O1
InChIInChI=1S/C18H17NO3/c20-18(17-11-12-5-1-3-7-15(12)22-17)19-14-9-10-21-16-8-4-2-6-13(14)16/h1-8,14,17H,9-11H2,(H,19,20)/t14-,17-/m0/s1
InChIKeyIYTRGDKTHFHSOZ-YOEHRIQHSA-N
MW295.34 g/mol
LogP2.63
Rot. Bonds2

About (2S)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2,3-dihydro-1-benzofuran-2-carboxamide

(2S)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 9091701) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is (2S)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID9091701
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name(2S)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(N[C@H]1CCOc2ccccc21)[C@@H]1Cc2ccccc2O1
InChIInChI=1S/C18H17NO3/c20-18(17-11-12-5-1-3-7-15(12)22-17)19-14-9-10-21-16-8-4-2-6-13(14)16/h1-8,14,17H,9-11H2,(H,19,20)/t14-,17-/m0/s1
InChIKeyIYTRGDKTHFHSOZ-YOEHRIQHSA-N
XLogP2.63
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dihydro-2H-chromen-4-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 18136898
(2R)-N-cycloheptyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9082273
N-(3,4-dihydro-2H-chromen-4-yl)-2-methylcyclopropane-1-carboxamide
CID 16559700
3-(2,3-dihydro-1-benzofuran-2-carbonylamino)cyclopentane-1-carboxylic acid
CID 66032698
N-(2,3-dihydro-1H-inden-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 43723878
2-amino-N-(3,4-dihydro-2H-chromen-4-yl)cyclopentane-1-carboxamide
CID 64824525
2-(3,4-dihydro-2H-chromen-4-ylcarbamoylamino)propanoic acid
CID 55063461
(3S)-1-cyclopentyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-5-oxopyrrolidine-3-carboxamide
CID 51546866
(2R)-2-amino-N-(3,4-dihydro-2H-chromen-4-yl)-2-phenylacetamide
CID 61180627
(2S)-2-bromo-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-methylbutanamide
CID 93300423
(2S)-2-bromo-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-methylbutanamide
CID 93300419
2-bromo-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylbutanamide
CID 43244721

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of (2S)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 9091701) is (2S)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for (2S)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for (2S)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2,3-dihydro-1-benzofuran-2-carboxamide is O=C(N[C@H]1CCOc2ccccc21)[C@@H]1Cc2ccccc2O1.
What is the InChIKey of (2S)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is IYTRGDKTHFHSOZ-YOEHRIQHSA-N. The full InChI is InChI=1S/C18H17NO3/c20-18(17-11-12-5-1-3-7-15(12)22-17)19-14-9-10-21-16-8-4-2-6-13(14)16/h1-8,14,17H,9-11H2,(H,19,20)/t14-,17-/m0/s1.
What are the key properties of (2S)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2,3-dihydro-1-benzofuran-2-carboxamide?
(2S)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 295.34 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 9091701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).