(2S)-2-(2-oxochromen-7-yl)oxy-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide

C22H21NO4 — CID 7290743

IUPAC(2S)-2-(2-oxochromen-7-yl)oxy-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
SMILESC[C@H](Oc1ccc2ccc(=O)oc2c1)C(=O)N[C@@H]1CCCc2ccccc21
InChIInChI=1S/C22H21NO4/c1-14(26-17-11-9-16-10-12-21(24)27-20(16)13-17)22(25)23-19-8-4-6-15-5-2-3-7-18(15)19/h2-3,5,7,9-14,19H,4,6,8H2,1H3,(H,23,25)/t14-,19+/m0/s1
InChIKeyBRNGCDPGTNMGGW-IFXJQAMLSA-N
MW363.41 g/mol
LogP3.75
Rot. Bonds4

About (2S)-2-(2-oxochromen-7-yl)oxy-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide

(2S)-2-(2-oxochromen-7-yl)oxy-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide (PubChem CID 7290743) has the molecular formula C22H21NO4 and a molecular weight of 363.41 g/mol. Its IUPAC name is (2S)-2-(2-oxochromen-7-yl)oxy-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-(2-oxochromen-7-yl)oxy-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
PubChem CID7290743
Molecular FormulaC22H21NO4
Molecular Weight363.41 g/mol
Exact Mass363.15
IUPAC Name(2S)-2-(2-oxochromen-7-yl)oxy-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
SMILESC[C@H](Oc1ccc2ccc(=O)oc2c1)C(=O)N[C@@H]1CCCc2ccccc21
InChIInChI=1S/C22H21NO4/c1-14(26-17-11-9-16-10-12-21(24)27-20(16)13-17)22(25)23-19-8-4-6-15-5-2-3-7-18(15)19/h2-3,5,7,9-14,19H,4,6,8H2,1H3,(H,23,25)/t14-,19+/m0/s1
InChIKeyBRNGCDPGTNMGGW-IFXJQAMLSA-N
XLogP3.75
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(2-methoxyphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 99132182
2-(2,5-dimethylphenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 43907918
(2R)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(2,4,5-trichlorophenoxy)propanamide
CID 7832813
(2S)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 100687016
(2R)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 100687007
[(2R)-1-oxo-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] 2-(4-methoxyphenyl)sulfanylacetate
CID 8550327
[(2S)-1-oxo-1-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] 2-naphthalen-2-ylsulfanylacetate
CID 7795763
(2S)-2-(2-oxochromen-7-yl)oxy-N-phenylpropanamide
CID 7564455
(2R)-2-[2-methyl-4-(4-methylphenyl)phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 2447879
(2S)-2-[2-methyl-4-(4-methylphenyl)phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 2447877
[(2S)-1-oxo-1-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate
CID 7836233
[(2S)-1-oxo-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate
CID 7836231

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-oxochromen-7-yl)oxy-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
The IUPAC name of (2S)-2-(2-oxochromen-7-yl)oxy-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide (CID 7290743) is (2S)-2-(2-oxochromen-7-yl)oxy-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide.
What is the SMILES notation for (2S)-2-(2-oxochromen-7-yl)oxy-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
The canonical SMILES for (2S)-2-(2-oxochromen-7-yl)oxy-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide is C[C@H](Oc1ccc2ccc(=O)oc2c1)C(=O)N[C@@H]1CCCc2ccccc21.
What is the InChIKey of (2S)-2-(2-oxochromen-7-yl)oxy-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
The InChIKey is BRNGCDPGTNMGGW-IFXJQAMLSA-N. The full InChI is InChI=1S/C22H21NO4/c1-14(26-17-11-9-16-10-12-21(24)27-20(16)13-17)22(25)23-19-8-4-6-15-5-2-3-7-18(15)19/h2-3,5,7,9-14,19H,4,6,8H2,1H3,(H,23,25)/t14-,19+/m0/s1.
What are the key properties of (2S)-2-(2-oxochromen-7-yl)oxy-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
(2S)-2-(2-oxochromen-7-yl)oxy-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide has a molecular weight of 363.41 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-oxochromen-7-yl)oxy-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide is sourced from PubChem (CID 7290743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).