N-[4-(8-methyl-8,9-dihydro-5H-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-5-yl)phenyl]acetamide

C19H19N3O3 — CID 54281145

IUPACN-[4-(8-methyl-8,9-dihydro-5H-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-5-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C2N=NC(C)Cc3cc4c(cc32)OCO4)cc1
InChIInChI=1S/C19H19N3O3/c1-11-7-14-8-17-18(25-10-24-17)9-16(14)19(22-21-11)13-3-5-15(6-4-13)20-12(2)23/h3-6,8-9,11,19H,7,10H2,1-2H3,(H,20,23)
InChIKeyRQWKNLKJIOSGJV-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.86
Rot. Bonds2

About N-[4-(8-methyl-8,9-dihydro-5H-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-5-yl)phenyl]acetamide

N-[4-(8-methyl-8,9-dihydro-5H-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-5-yl)phenyl]acetamide (PubChem CID 54281145) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[4-(8-methyl-8,9-dihydro-5H-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-5-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(8-methyl-8,9-dihydro-5H-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-5-yl)phenyl]acetamide
PubChem CID54281145
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN-[4-(8-methyl-8,9-dihydro-5H-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-5-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C2N=NC(C)Cc3cc4c(cc32)OCO4)cc1
InChIInChI=1S/C19H19N3O3/c1-11-7-14-8-17-18(25-10-24-17)9-16(14)19(22-21-11)13-3-5-15(6-4-13)20-12(2)23/h3-6,8-9,11,19H,7,10H2,1-2H3,(H,20,23)
InChIKeyRQWKNLKJIOSGJV-UHFFFAOYSA-N
XLogP3.86
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(8-methyl-8,9-dihydro-5H-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-5-yl)phenyl]acetamide?
The IUPAC name of N-[4-(8-methyl-8,9-dihydro-5H-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-5-yl)phenyl]acetamide (CID 54281145) is N-[4-(8-methyl-8,9-dihydro-5H-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-5-yl)phenyl]acetamide.
What is the SMILES notation for N-[4-(8-methyl-8,9-dihydro-5H-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-5-yl)phenyl]acetamide?
The canonical SMILES for N-[4-(8-methyl-8,9-dihydro-5H-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-5-yl)phenyl]acetamide is CC(=O)Nc1ccc(C2N=NC(C)Cc3cc4c(cc32)OCO4)cc1.
What is the InChIKey of N-[4-(8-methyl-8,9-dihydro-5H-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-5-yl)phenyl]acetamide?
The InChIKey is RQWKNLKJIOSGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-11-7-14-8-17-18(25-10-24-17)9-16(14)19(22-21-11)13-3-5-15(6-4-13)20-12(2)23/h3-6,8-9,11,19H,7,10H2,1-2H3,(H,20,23).
What are the key properties of N-[4-(8-methyl-8,9-dihydro-5H-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-5-yl)phenyl]acetamide?
N-[4-(8-methyl-8,9-dihydro-5H-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-5-yl)phenyl]acetamide has a molecular weight of 337.38 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(8-methyl-8,9-dihydro-5H-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-5-yl)phenyl]acetamide is sourced from PubChem (CID 54281145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).