2-[(3aR)-4-oxo-1,2,3,3a-tetrahydrocyclopenta[c][1,5]benzodiazepin-5-yl]-N-(furan-2-ylmethyl)acetamide

C19H19N3O3 — CID 98265784

IUPAC2-[(3aR)-4-oxo-1,2,3,3a-tetrahydrocyclopenta[c][1,5]benzodiazepin-5-yl]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CN1C(=O)[C@@H]2CCCC2=Nc2ccccc21)NCc1ccco1
InChIInChI=1S/C19H19N3O3/c23-18(20-11-13-5-4-10-25-13)12-22-17-9-2-1-7-16(17)21-15-8-3-6-14(15)19(22)24/h1-2,4-5,7,9-10,14H,3,6,8,11-12H2,(H,20,23)/t14-/m1/s1
InChIKeyUEBMSGMKUCZNRR-CQSZACIVSA-N
MW337.38 g/mol
LogP2.82
Rot. Bonds4

About 2-[(3aR)-4-oxo-1,2,3,3a-tetrahydrocyclopenta[c][1,5]benzodiazepin-5-yl]-N-(furan-2-ylmethyl)acetamide

2-[(3aR)-4-oxo-1,2,3,3a-tetrahydrocyclopenta[c][1,5]benzodiazepin-5-yl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 98265784) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-[(3aR)-4-oxo-1,2,3,3a-tetrahydrocyclopenta[c][1,5]benzodiazepin-5-yl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(3aR)-4-oxo-1,2,3,3a-tetrahydrocyclopenta[c][1,5]benzodiazepin-5-yl]-N-(furan-2-ylmethyl)acetamide
PubChem CID98265784
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name2-[(3aR)-4-oxo-1,2,3,3a-tetrahydrocyclopenta[c][1,5]benzodiazepin-5-yl]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CN1C(=O)[C@@H]2CCCC2=Nc2ccccc21)NCc1ccco1
InChIInChI=1S/C19H19N3O3/c23-18(20-11-13-5-4-10-25-13)12-22-17-9-2-1-7-16(17)21-15-8-3-6-14(15)19(22)24/h1-2,4-5,7,9-10,14H,3,6,8,11-12H2,(H,20,23)/t14-/m1/s1
InChIKeyUEBMSGMKUCZNRR-CQSZACIVSA-N
XLogP2.82
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(3aR)-4-oxo-1,2,3,3a-tetrahydrocyclopenta[c][1,5]benzodiazepin-5-yl]-N-(furan-2-ylmethyl)acetamide 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

2-[(3aS)-4-oxo-1,2,3,3a-tetrahydrocyclopenta[c][1,5]benzodiazepin-5-yl]-N-[(2-chlorophenyl)methyl]acetamide
CID 98265810
2-[(3aS)-4-oxo-1,2,3,3a-tetrahydrocyclopenta[c][1,5]benzodiazepin-5-yl]-N-(3-phenylpropyl)acetamide
CID 98265769
2-[(3aR)-4-oxo-1,2,3,3a-tetrahydrocyclopenta[c][1,5]benzodiazepin-5-yl]-N-(2,4-difluorophenyl)acetamide
CID 98265872
2-[(3aR)-4-oxo-1,2,3,3a-tetrahydrocyclopenta[c][1,5]benzodiazepin-5-yl]-N-(2,5-dimethylphenyl)acetamide
CID 98265921
2-[(3aS)-7,8-dimethyl-4-oxo-1,2,3,3a-tetrahydrocyclopenta[c][1,5]benzodiazepin-5-yl]-N-[(2-bromophenyl)methyl]acetamide
CID 98265486
2-[(6aS)-6,11-dioxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl]-N-(furan-2-ylmethyl)acetamide
CID 44777449
2-(2,5-dioxopyrrolidin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 17034773
N-(furan-2-ylmethyl)-2-[(6S)-7-oxo-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-8-yl]acetamide
CID 95791909
2-[(2S)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]-N-(furan-2-ylmethyl)acetamide
CID 757964
2-[(1S,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-(furan-2-ylmethyl)acetamide
CID 7272858
2-[(1S,2R,6R,7S,8S,10R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]-N-(furan-2-ylmethyl)acetamide
CID 124536568
N-(furan-2-ylmethyl)-2-[(4S)-4-methyl-2,5-dioxo-3-phenylimidazolidin-1-yl]acetamide
CID 26075366

Frequently Asked Questions

What is the IUPAC name of 2-[(3aR)-4-oxo-1,2,3,3a-tetrahydrocyclopenta[c][1,5]benzodiazepin-5-yl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[(3aR)-4-oxo-1,2,3,3a-tetrahydrocyclopenta[c][1,5]benzodiazepin-5-yl]-N-(furan-2-ylmethyl)acetamide (CID 98265784) is 2-[(3aR)-4-oxo-1,2,3,3a-tetrahydrocyclopenta[c][1,5]benzodiazepin-5-yl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(3aR)-4-oxo-1,2,3,3a-tetrahydrocyclopenta[c][1,5]benzodiazepin-5-yl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(3aR)-4-oxo-1,2,3,3a-tetrahydrocyclopenta[c][1,5]benzodiazepin-5-yl]-N-(furan-2-ylmethyl)acetamide is O=C(CN1C(=O)[C@@H]2CCCC2=Nc2ccccc21)NCc1ccco1.
What is the InChIKey of 2-[(3aR)-4-oxo-1,2,3,3a-tetrahydrocyclopenta[c][1,5]benzodiazepin-5-yl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is UEBMSGMKUCZNRR-CQSZACIVSA-N. The full InChI is InChI=1S/C19H19N3O3/c23-18(20-11-13-5-4-10-25-13)12-22-17-9-2-1-7-16(17)21-15-8-3-6-14(15)19(22)24/h1-2,4-5,7,9-10,14H,3,6,8,11-12H2,(H,20,23)/t14-/m1/s1.
What are the key properties of 2-[(3aR)-4-oxo-1,2,3,3a-tetrahydrocyclopenta[c][1,5]benzodiazepin-5-yl]-N-(furan-2-ylmethyl)acetamide?
2-[(3aR)-4-oxo-1,2,3,3a-tetrahydrocyclopenta[c][1,5]benzodiazepin-5-yl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 337.38 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3aR)-4-oxo-1,2,3,3a-tetrahydrocyclopenta[c][1,5]benzodiazepin-5-yl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 98265784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).