(4S)-7-ethoxy-4-(4-methoxyphenyl)-6-methyl-3,4-dihydro-1H-1,3-diazepine-2,5-dione

C15H18N2O4 — CID 95988564

IUPAC(4S)-7-ethoxy-4-(4-methoxyphenyl)-6-methyl-3,4-dihydro-1H-1,3-diazepine-2,5-dione
SMILESCCOC1=C(C)C(=O)[C@H](c2ccc(OC)cc2)NC(=O)N1
InChIInChI=1S/C15H18N2O4/c1-4-21-14-9(2)13(18)12(16-15(19)17-14)10-5-7-11(20-3)8-6-10/h5-8,12H,4H2,1-3H3,(H2,16,17,19)/t12-/m0/s1
InChIKeyYPYNJDUSVSYJRM-LBPRGKRZSA-N
MW290.32 g/mol
LogP1.89
Rot. Bonds4

About (4S)-7-ethoxy-4-(4-methoxyphenyl)-6-methyl-3,4-dihydro-1H-1,3-diazepine-2,5-dione

(4S)-7-ethoxy-4-(4-methoxyphenyl)-6-methyl-3,4-dihydro-1H-1,3-diazepine-2,5-dione (PubChem CID 95988564) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is (4S)-7-ethoxy-4-(4-methoxyphenyl)-6-methyl-3,4-dihydro-1H-1,3-diazepine-2,5-dione.

Molecular Properties

Compound Name(4S)-7-ethoxy-4-(4-methoxyphenyl)-6-methyl-3,4-dihydro-1H-1,3-diazepine-2,5-dione
PubChem CID95988564
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name(4S)-7-ethoxy-4-(4-methoxyphenyl)-6-methyl-3,4-dihydro-1H-1,3-diazepine-2,5-dione
SMILESCCOC1=C(C)C(=O)[C@H](c2ccc(OC)cc2)NC(=O)N1
InChIInChI=1S/C15H18N2O4/c1-4-21-14-9(2)13(18)12(16-15(19)17-14)10-5-7-11(20-3)8-6-10/h5-8,12H,4H2,1-3H3,(H2,16,17,19)/t12-/m0/s1
InChIKeyYPYNJDUSVSYJRM-LBPRGKRZSA-N
XLogP1.89
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-5-(4-ethoxyphenyl)imidazolidine-2,4-dione
CID 708719
ethyl 4,6-bis(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 2864538
methyl (4R)-4-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 677732
propan-2-yl (4R)-4-(4-ethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 746979
methyl 6-ethyl-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 10755910
ethyl 6-(4-methoxyphenyl)-2-oxo-4-(4-propoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110842831
ethyl (4R)-4-(4-ethoxyphenyl)-6-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 95202035
propan-2-yl 4-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 2829425
propan-2-yl (4R)-4-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 692892
cyclohexyl (4S)-4-(4-ethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 1099403
methyl (4S)-6-[(4-methoxyphenoxy)methyl]-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7457559
ethyl 6-[[2-(2-ethoxyphenoxy)acetyl]oxymethyl]-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 43028285

Frequently Asked Questions

What is the IUPAC name of (4S)-7-ethoxy-4-(4-methoxyphenyl)-6-methyl-3,4-dihydro-1H-1,3-diazepine-2,5-dione?
The IUPAC name of (4S)-7-ethoxy-4-(4-methoxyphenyl)-6-methyl-3,4-dihydro-1H-1,3-diazepine-2,5-dione (CID 95988564) is (4S)-7-ethoxy-4-(4-methoxyphenyl)-6-methyl-3,4-dihydro-1H-1,3-diazepine-2,5-dione.
What is the SMILES notation for (4S)-7-ethoxy-4-(4-methoxyphenyl)-6-methyl-3,4-dihydro-1H-1,3-diazepine-2,5-dione?
The canonical SMILES for (4S)-7-ethoxy-4-(4-methoxyphenyl)-6-methyl-3,4-dihydro-1H-1,3-diazepine-2,5-dione is CCOC1=C(C)C(=O)[C@H](c2ccc(OC)cc2)NC(=O)N1.
What is the InChIKey of (4S)-7-ethoxy-4-(4-methoxyphenyl)-6-methyl-3,4-dihydro-1H-1,3-diazepine-2,5-dione?
The InChIKey is YPYNJDUSVSYJRM-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-4-21-14-9(2)13(18)12(16-15(19)17-14)10-5-7-11(20-3)8-6-10/h5-8,12H,4H2,1-3H3,(H2,16,17,19)/t12-/m0/s1.
What are the key properties of (4S)-7-ethoxy-4-(4-methoxyphenyl)-6-methyl-3,4-dihydro-1H-1,3-diazepine-2,5-dione?
(4S)-7-ethoxy-4-(4-methoxyphenyl)-6-methyl-3,4-dihydro-1H-1,3-diazepine-2,5-dione has a molecular weight of 290.32 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-7-ethoxy-4-(4-methoxyphenyl)-6-methyl-3,4-dihydro-1H-1,3-diazepine-2,5-dione is sourced from PubChem (CID 95988564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).