[(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 2H-chromene-3-carboxylate

C22H23NO4 — CID 8744452

IUPAC[(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 2H-chromene-3-carboxylate
SMILESCC(C)c1ccc(NC(=O)[C@H](C)OC(=O)C2=Cc3ccccc3OC2)cc1
InChIInChI=1S/C22H23NO4/c1-14(2)16-8-10-19(11-9-16)23-21(24)15(3)27-22(25)18-12-17-6-4-5-7-20(17)26-13-18/h4-12,14-15H,13H2,1-3H3,(H,23,24)/t15-/m0/s1
InChIKeySNMQFEDDLOKGQD-HNNXBMFYSA-N
MW365.43 g/mol
LogP4.16
Rot. Bonds5

About [(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 2H-chromene-3-carboxylate

[(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 2H-chromene-3-carboxylate (PubChem CID 8744452) has the molecular formula C22H23NO4 and a molecular weight of 365.43 g/mol. Its IUPAC name is [(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 2H-chromene-3-carboxylate.

Molecular Properties

Compound Name[(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 2H-chromene-3-carboxylate
PubChem CID8744452
Molecular FormulaC22H23NO4
Molecular Weight365.43 g/mol
Exact Mass365.16
IUPAC Name[(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 2H-chromene-3-carboxylate
SMILESCC(C)c1ccc(NC(=O)[C@H](C)OC(=O)C2=Cc3ccccc3OC2)cc1
InChIInChI=1S/C22H23NO4/c1-14(2)16-8-10-19(11-9-16)23-21(24)15(3)27-22(25)18-12-17-6-4-5-7-20(17)26-13-18/h4-12,14-15H,13H2,1-3H3,(H,23,24)/t15-/m0/s1
InChIKeySNMQFEDDLOKGQD-HNNXBMFYSA-N
XLogP4.16
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 ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate
CID 8745271
[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate
CID 8743997
[(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate
CID 8744007
[(2S)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate
CID 8742525
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate
CID 8745614
[(2S)-1-[4-(2,2-dimethylpropanoylamino)phenyl]-1-oxopropan-2-yl] 2H-chromene-3-carboxylate
CID 8746964
[(2S)-1-amino-1-oxopropan-2-yl] 2H-chromene-3-carboxylate
CID 8745641
[(2S)-1-[2-[(2S)-butan-2-yl]anilino]-1-oxopropan-2-yl] 2H-chromene-3-carboxylate
CID 8744847
[1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2H-chromene-3-carboxylate
CID 17397689
[(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl] 2H-chromene-3-carboxylate
CID 7441797
[(2S)-1-oxo-1-[[(1R)-1-phenylbutyl]amino]propan-2-yl] 2H-chromene-3-carboxylate
CID 8748933
[(2R)-1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 2H-chromene-3-carboxylate
CID 8747358

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 2H-chromene-3-carboxylate?
The IUPAC name of [(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 2H-chromene-3-carboxylate (CID 8744452) is [(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 2H-chromene-3-carboxylate.
What is the SMILES notation for [(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 2H-chromene-3-carboxylate?
The canonical SMILES for [(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 2H-chromene-3-carboxylate is CC(C)c1ccc(NC(=O)[C@H](C)OC(=O)C2=Cc3ccccc3OC2)cc1.
What is the InChIKey of [(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 2H-chromene-3-carboxylate?
The InChIKey is SNMQFEDDLOKGQD-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H23NO4/c1-14(2)16-8-10-19(11-9-16)23-21(24)15(3)27-22(25)18-12-17-6-4-5-7-20(17)26-13-18/h4-12,14-15H,13H2,1-3H3,(H,23,24)/t15-/m0/s1.
What are the key properties of [(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 2H-chromene-3-carboxylate?
[(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 2H-chromene-3-carboxylate has a molecular weight of 365.43 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 2H-chromene-3-carboxylate is sourced from PubChem (CID 8744452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).