N-[3-[(4R)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl]phenyl]acetamide

C18H19N3O2 — CID 121277892

IUPACN-[3-[(4R)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cccc3c2N[C@H](C)CC(=O)N3)c1
InChIInChI=1S/C18H19N3O2/c1-11-9-17(23)21-16-8-4-7-15(18(16)19-11)13-5-3-6-14(10-13)20-12(2)22/h3-8,10-11,19H,9H2,1-2H3,(H,20,22)(H,21,23)/t11-/m1/s1
InChIKeyGIYOOGVOVDSURC-LLVKDONJSA-N
MW309.37 g/mol
LogP3.45
Rot. Bonds2

About N-[3-[(4R)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl]phenyl]acetamide

N-[3-[(4R)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl]phenyl]acetamide (PubChem CID 121277892) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[3-[(4R)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(4R)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl]phenyl]acetamide
PubChem CID121277892
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC NameN-[3-[(4R)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cccc3c2N[C@H](C)CC(=O)N3)c1
InChIInChI=1S/C18H19N3O2/c1-11-9-17(23)21-16-8-4-7-15(18(16)19-11)13-5-3-6-14(10-13)20-12(2)22/h3-8,10-11,19H,9H2,1-2H3,(H,20,22)(H,21,23)/t11-/m1/s1
InChIKeyGIYOOGVOVDSURC-LLVKDONJSA-N
XLogP3.45
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(4R)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl]phenyl]acetamide?
The IUPAC name of N-[3-[(4R)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl]phenyl]acetamide (CID 121277892) is N-[3-[(4R)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[(4R)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[(4R)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl]phenyl]acetamide is CC(=O)Nc1cccc(-c2cccc3c2N[C@H](C)CC(=O)N3)c1.
What is the InChIKey of N-[3-[(4R)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl]phenyl]acetamide?
The InChIKey is GIYOOGVOVDSURC-LLVKDONJSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-11-9-17(23)21-16-8-4-7-15(18(16)19-11)13-5-3-6-14(10-13)20-12(2)22/h3-8,10-11,19H,9H2,1-2H3,(H,20,22)(H,21,23)/t11-/m1/s1.
What are the key properties of N-[3-[(4R)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl]phenyl]acetamide?
N-[3-[(4R)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl]phenyl]acetamide has a molecular weight of 309.37 g/mol, XLogP of 3.45, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4R)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl]phenyl]acetamide is sourced from PubChem (CID 121277892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).