propan-2-yl 2-amino-4-(2-oxo-2-propan-2-yloxyethyl)-6-phenyl-4H-chromene-3-carboxylate

C24H27NO5 — CID 25074408

IUPACpropan-2-yl 2-amino-4-(2-oxo-2-propan-2-yloxyethyl)-6-phenyl-4H-chromene-3-carboxylate
SMILESCC(C)OC(=O)CC1C(C(=O)OC(C)C)=C(N)Oc2ccc(-c3ccccc3)cc21
InChIInChI=1S/C24H27NO5/c1-14(2)28-21(26)13-19-18-12-17(16-8-6-5-7-9-16)10-11-20(18)30-23(25)22(19)24(27)29-15(3)4/h5-12,14-15,19H,13,25H2,1-4H3
InChIKeyMMJDKOIXEGPBMY-UHFFFAOYSA-N
MW409.48 g/mol
LogP4.29
Rot. Bonds6

About propan-2-yl 2-amino-4-(2-oxo-2-propan-2-yloxyethyl)-6-phenyl-4H-chromene-3-carboxylate

propan-2-yl 2-amino-4-(2-oxo-2-propan-2-yloxyethyl)-6-phenyl-4H-chromene-3-carboxylate (PubChem CID 25074408) has the molecular formula C24H27NO5 and a molecular weight of 409.48 g/mol. Its IUPAC name is propan-2-yl 2-amino-4-(2-oxo-2-propan-2-yloxyethyl)-6-phenyl-4H-chromene-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2-amino-4-(2-oxo-2-propan-2-yloxyethyl)-6-phenyl-4H-chromene-3-carboxylate
PubChem CID25074408
Molecular FormulaC24H27NO5
Molecular Weight409.48 g/mol
Exact Mass409.19
IUPAC Namepropan-2-yl 2-amino-4-(2-oxo-2-propan-2-yloxyethyl)-6-phenyl-4H-chromene-3-carboxylate
SMILESCC(C)OC(=O)CC1C(C(=O)OC(C)C)=C(N)Oc2ccc(-c3ccccc3)cc21
InChIInChI=1S/C24H27NO5/c1-14(2)28-21(26)13-19-18-12-17(16-8-6-5-7-9-16)10-11-20(18)30-23(25)22(19)24(27)29-15(3)4/h5-12,14-15,19H,13,25H2,1-4H3
InChIKeyMMJDKOIXEGPBMY-UHFFFAOYSA-N
XLogP4.29
TPSA87.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.48
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-amino-4-(2-oxo-2-propan-2-yloxyethyl)-6-phenyl-4H-chromene-3-carboxylate?
The IUPAC name of propan-2-yl 2-amino-4-(2-oxo-2-propan-2-yloxyethyl)-6-phenyl-4H-chromene-3-carboxylate (CID 25074408) is propan-2-yl 2-amino-4-(2-oxo-2-propan-2-yloxyethyl)-6-phenyl-4H-chromene-3-carboxylate.
What is the SMILES notation for propan-2-yl 2-amino-4-(2-oxo-2-propan-2-yloxyethyl)-6-phenyl-4H-chromene-3-carboxylate?
The canonical SMILES for propan-2-yl 2-amino-4-(2-oxo-2-propan-2-yloxyethyl)-6-phenyl-4H-chromene-3-carboxylate is CC(C)OC(=O)CC1C(C(=O)OC(C)C)=C(N)Oc2ccc(-c3ccccc3)cc21.
What is the InChIKey of propan-2-yl 2-amino-4-(2-oxo-2-propan-2-yloxyethyl)-6-phenyl-4H-chromene-3-carboxylate?
The InChIKey is MMJDKOIXEGPBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO5/c1-14(2)28-21(26)13-19-18-12-17(16-8-6-5-7-9-16)10-11-20(18)30-23(25)22(19)24(27)29-15(3)4/h5-12,14-15,19H,13,25H2,1-4H3.
What are the key properties of propan-2-yl 2-amino-4-(2-oxo-2-propan-2-yloxyethyl)-6-phenyl-4H-chromene-3-carboxylate?
propan-2-yl 2-amino-4-(2-oxo-2-propan-2-yloxyethyl)-6-phenyl-4H-chromene-3-carboxylate has a molecular weight of 409.48 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-amino-4-(2-oxo-2-propan-2-yloxyethyl)-6-phenyl-4H-chromene-3-carboxylate is sourced from PubChem (CID 25074408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).