1-[(4-hydroxyphenyl)methyl]-4-propyl-3H-1,4-benzodiazepine-2,5-dione

C19H20N2O3 — CID 20588683

IUPAC1-[(4-hydroxyphenyl)methyl]-4-propyl-3H-1,4-benzodiazepine-2,5-dione
SMILESCCCN1CC(=O)N(Cc2ccc(O)cc2)c2ccccc2C1=O
InChIInChI=1S/C19H20N2O3/c1-2-11-20-13-18(23)21(12-14-7-9-15(22)10-8-14)17-6-4-3-5-16(17)19(20)24/h3-10,22H,2,11-13H2,1H3
InChIKeyMIBMAZVJPBTZPW-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.79
Rot. Bonds4

About 1-[(4-hydroxyphenyl)methyl]-4-propyl-3H-1,4-benzodiazepine-2,5-dione

1-[(4-hydroxyphenyl)methyl]-4-propyl-3H-1,4-benzodiazepine-2,5-dione (PubChem CID 20588683) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 1-[(4-hydroxyphenyl)methyl]-4-propyl-3H-1,4-benzodiazepine-2,5-dione.

Molecular Properties

Compound Name1-[(4-hydroxyphenyl)methyl]-4-propyl-3H-1,4-benzodiazepine-2,5-dione
PubChem CID20588683
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name1-[(4-hydroxyphenyl)methyl]-4-propyl-3H-1,4-benzodiazepine-2,5-dione
SMILESCCCN1CC(=O)N(Cc2ccc(O)cc2)c2ccccc2C1=O
InChIInChI=1S/C19H20N2O3/c1-2-11-20-13-18(23)21(12-14-7-9-15(22)10-8-14)17-6-4-3-5-16(17)19(20)24/h3-10,22H,2,11-13H2,1H3
InChIKeyMIBMAZVJPBTZPW-UHFFFAOYSA-N
XLogP2.79
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-hydroxyphenyl)methyl]-4-propyl-3H-1,4-benzodiazepine-2,5-dione?
The IUPAC name of 1-[(4-hydroxyphenyl)methyl]-4-propyl-3H-1,4-benzodiazepine-2,5-dione (CID 20588683) is 1-[(4-hydroxyphenyl)methyl]-4-propyl-3H-1,4-benzodiazepine-2,5-dione.
What is the SMILES notation for 1-[(4-hydroxyphenyl)methyl]-4-propyl-3H-1,4-benzodiazepine-2,5-dione?
The canonical SMILES for 1-[(4-hydroxyphenyl)methyl]-4-propyl-3H-1,4-benzodiazepine-2,5-dione is CCCN1CC(=O)N(Cc2ccc(O)cc2)c2ccccc2C1=O.
What is the InChIKey of 1-[(4-hydroxyphenyl)methyl]-4-propyl-3H-1,4-benzodiazepine-2,5-dione?
The InChIKey is MIBMAZVJPBTZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-2-11-20-13-18(23)21(12-14-7-9-15(22)10-8-14)17-6-4-3-5-16(17)19(20)24/h3-10,22H,2,11-13H2,1H3.
What are the key properties of 1-[(4-hydroxyphenyl)methyl]-4-propyl-3H-1,4-benzodiazepine-2,5-dione?
1-[(4-hydroxyphenyl)methyl]-4-propyl-3H-1,4-benzodiazepine-2,5-dione has a molecular weight of 324.38 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-hydroxyphenyl)methyl]-4-propyl-3H-1,4-benzodiazepine-2,5-dione is sourced from PubChem (CID 20588683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).