[2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl] (3R)-3,4-dihydro-2H-chromene-3-carboxylate

C22H23NO4 — CID 94870978

IUPAC[2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl] (3R)-3,4-dihydro-2H-chromene-3-carboxylate
SMILESO=C(COC(=O)[C@H]1COc2ccccc2C1)NC1(c2ccccc2)CCC1
InChIInChI=1S/C22H23NO4/c24-20(23-22(11-6-12-22)18-8-2-1-3-9-18)15-27-21(25)17-13-16-7-4-5-10-19(16)26-14-17/h1-5,7-10,17H,6,11-15H2,(H,23,24)/t17-/m1/s1
InChIKeyOKPYVSFTBPBBSD-QGZVFWFLSA-N
MW365.43 g/mol
LogP2.98
Rot. Bonds5

About [2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl] (3R)-3,4-dihydro-2H-chromene-3-carboxylate

[2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl] (3R)-3,4-dihydro-2H-chromene-3-carboxylate (PubChem CID 94870978) has the molecular formula C22H23NO4 and a molecular weight of 365.43 g/mol. Its IUPAC name is [2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl] (3R)-3,4-dihydro-2H-chromene-3-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl] (3R)-3,4-dihydro-2H-chromene-3-carboxylate
PubChem CID94870978
Molecular FormulaC22H23NO4
Molecular Weight365.43 g/mol
Exact Mass365.16
IUPAC Name[2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl] (3R)-3,4-dihydro-2H-chromene-3-carboxylate
SMILESO=C(COC(=O)[C@H]1COc2ccccc2C1)NC1(c2ccccc2)CCC1
InChIInChI=1S/C22H23NO4/c24-20(23-22(11-6-12-22)18-8-2-1-3-9-18)15-27-21(25)17-13-16-7-4-5-10-19(16)26-14-17/h1-5,7-10,17H,6,11-15H2,(H,23,24)/t17-/m1/s1
InChIKeyOKPYVSFTBPBBSD-QGZVFWFLSA-N
XLogP2.98
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl] (3R)-3,4-dihydro-2H-chromene-3-carboxylate with MolForge

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Related Compounds

[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 3,4-dihydro-2H-chromene-3-carboxylate
CID 46639086
propyl 3,4-dihydro-2H-chromene-3-carboxylate
CID 60731106
cyclohexylmethyl 3,4-dihydro-2H-chromene-3-carboxylate
CID 55429666
[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] (3R)-3,4-dihydro-2H-chromene-3-carboxylate
CID 9381686
[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3,4-dihydro-2H-chromene-3-carboxylate
CID 46638836
[2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxoethyl] (3S)-3,4-dihydro-2H-chromene-3-carboxylate
CID 9381673
[2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] (3R)-3,4-dihydro-2H-chromene-3-carboxylate
CID 9381684
2-ethoxy-N-(1-phenylcyclobutyl)acetamide
CID 52571502
3,4-dihydro-2H-chromene-3-carboxylic acid
CID 162072408
[2-(4-butoxycarbonylanilino)-2-oxoethyl] 3,4-dihydro-2H-chromene-3-carboxylate
CID 46638835
[2-(3,4-dimethylphenyl)-2-oxoethyl] (3S)-3,4-dihydro-2H-chromene-3-carboxylate
CID 9381608
1-(3,4-dihydro-2H-chromene-3-carbonylamino)cyclopropane-1-carboxylic acid
CID 65453008

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl] (3R)-3,4-dihydro-2H-chromene-3-carboxylate?
The IUPAC name of [2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl] (3R)-3,4-dihydro-2H-chromene-3-carboxylate (CID 94870978) is [2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl] (3R)-3,4-dihydro-2H-chromene-3-carboxylate.
What is the SMILES notation for [2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl] (3R)-3,4-dihydro-2H-chromene-3-carboxylate?
The canonical SMILES for [2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl] (3R)-3,4-dihydro-2H-chromene-3-carboxylate is O=C(COC(=O)[C@H]1COc2ccccc2C1)NC1(c2ccccc2)CCC1.
What is the InChIKey of [2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl] (3R)-3,4-dihydro-2H-chromene-3-carboxylate?
The InChIKey is OKPYVSFTBPBBSD-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H23NO4/c24-20(23-22(11-6-12-22)18-8-2-1-3-9-18)15-27-21(25)17-13-16-7-4-5-10-19(16)26-14-17/h1-5,7-10,17H,6,11-15H2,(H,23,24)/t17-/m1/s1.
What are the key properties of [2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl] (3R)-3,4-dihydro-2H-chromene-3-carboxylate?
[2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl] (3R)-3,4-dihydro-2H-chromene-3-carboxylate has a molecular weight of 365.43 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl] (3R)-3,4-dihydro-2H-chromene-3-carboxylate is sourced from PubChem (CID 94870978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).