methyl 2-(5-acetyl-3,4-dihydro-2H-1,5-benzodiazepin-1-yl)acetate

C14H18N2O3 — CID 71866198

IUPACmethyl 2-(5-acetyl-3,4-dihydro-2H-1,5-benzodiazepin-1-yl)acetate
SMILESCOC(=O)CN1CCCN(C(C)=O)c2ccccc21
InChIInChI=1S/C14H18N2O3/c1-11(17)16-9-5-8-15(10-14(18)19-2)12-6-3-4-7-13(12)16/h3-4,6-7H,5,8-10H2,1-2H3
InChIKeyLXHIPYYBCBHJEY-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.42
Rot. Bonds2

About methyl 2-(5-acetyl-3,4-dihydro-2H-1,5-benzodiazepin-1-yl)acetate

methyl 2-(5-acetyl-3,4-dihydro-2H-1,5-benzodiazepin-1-yl)acetate (PubChem CID 71866198) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is methyl 2-(5-acetyl-3,4-dihydro-2H-1,5-benzodiazepin-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(5-acetyl-3,4-dihydro-2H-1,5-benzodiazepin-1-yl)acetate
PubChem CID71866198
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Namemethyl 2-(5-acetyl-3,4-dihydro-2H-1,5-benzodiazepin-1-yl)acetate
SMILESCOC(=O)CN1CCCN(C(C)=O)c2ccccc21
InChIInChI=1S/C14H18N2O3/c1-11(17)16-9-5-8-15(10-14(18)19-2)12-6-3-4-7-13(12)16/h3-4,6-7H,5,8-10H2,1-2H3
InChIKeyLXHIPYYBCBHJEY-UHFFFAOYSA-N
XLogP1.42
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-(5-acetyl-3,4-dihydro-2H-1,5-benzodiazepin-1-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(5-hydroxypentyl)-3,4-dihydro-2H-1,5-benzodiazepin-5-yl]ethanone
CID 111544071
methyl 2-(4-methyl-3-oxo-2H-quinoxalin-1-yl)acetate
CID 117030796
1-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]-3,4-dihydro-2H-1,5-benzodiazepin-5-yl]ethanone
CID 126778411
1-[1-(1,3-benzoxazol-2-ylmethyl)-3,4-dihydro-2H-1,5-benzodiazepin-5-yl]ethanone
CID 126766841
1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;ethane
CID 143423489
1-[1-(2-methoxyethyl)-3,4-dihydro-2H-1,5-benzodiazepin-5-yl]-3-phenylpropan-1-one
CID 91924125
methyl 2-(6-cyano-3,4-dihydro-2H-quinolin-1-yl)acetate
CID 122149581
1-[5-(thiolane-2-carbonyl)-3,4-dihydro-2H-1,5-benzodiazepin-1-yl]ethanone
CID 71989598
fluoro 2-(3,4-dihydro-2H-quinolin-1-yl)acetate
CID 145056467
methyl 2-[4-(2-methylphenyl)piperazin-1-yl]acetate
CID 22200648
1-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)ethanone
CID 12858798
1-[5-(ethylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]ethanone
CID 114335777

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-acetyl-3,4-dihydro-2H-1,5-benzodiazepin-1-yl)acetate?
The IUPAC name of methyl 2-(5-acetyl-3,4-dihydro-2H-1,5-benzodiazepin-1-yl)acetate (CID 71866198) is methyl 2-(5-acetyl-3,4-dihydro-2H-1,5-benzodiazepin-1-yl)acetate.
What is the SMILES notation for methyl 2-(5-acetyl-3,4-dihydro-2H-1,5-benzodiazepin-1-yl)acetate?
The canonical SMILES for methyl 2-(5-acetyl-3,4-dihydro-2H-1,5-benzodiazepin-1-yl)acetate is COC(=O)CN1CCCN(C(C)=O)c2ccccc21.
What is the InChIKey of methyl 2-(5-acetyl-3,4-dihydro-2H-1,5-benzodiazepin-1-yl)acetate?
The InChIKey is LXHIPYYBCBHJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-11(17)16-9-5-8-15(10-14(18)19-2)12-6-3-4-7-13(12)16/h3-4,6-7H,5,8-10H2,1-2H3.
What are the key properties of methyl 2-(5-acetyl-3,4-dihydro-2H-1,5-benzodiazepin-1-yl)acetate?
methyl 2-(5-acetyl-3,4-dihydro-2H-1,5-benzodiazepin-1-yl)acetate has a molecular weight of 262.31 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-acetyl-3,4-dihydro-2H-1,5-benzodiazepin-1-yl)acetate is sourced from PubChem (CID 71866198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).