2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-[(2R)-1-(furan-2-yl)propan-2-yl]acetamide

C18H19N3O4 — CID 97424970

IUPAC2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-[(2R)-1-(furan-2-yl)propan-2-yl]acetamide
SMILESC[C@H](Cc1ccco1)NC(=O)C[C@H]1NC(=O)c2ccccc2NC1=O
InChIInChI=1S/C18H19N3O4/c1-11(9-12-5-4-8-25-12)19-16(22)10-15-18(24)20-14-7-3-2-6-13(14)17(23)21-15/h2-8,11,15H,9-10H2,1H3,(H,19,22)(H,20,24)(H,21,23)/t11-,15-/m1/s1
InChIKeyFSHAWAQWSNTJMX-IAQYHMDHSA-N
MW341.37 g/mol
LogP1.47
Rot. Bonds5

About 2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-[(2R)-1-(furan-2-yl)propan-2-yl]acetamide

2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-[(2R)-1-(furan-2-yl)propan-2-yl]acetamide (PubChem CID 97424970) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is 2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-[(2R)-1-(furan-2-yl)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-[(2R)-1-(furan-2-yl)propan-2-yl]acetamide
PubChem CID97424970
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-[(2R)-1-(furan-2-yl)propan-2-yl]acetamide
SMILESC[C@H](Cc1ccco1)NC(=O)C[C@H]1NC(=O)c2ccccc2NC1=O
InChIInChI=1S/C18H19N3O4/c1-11(9-12-5-4-8-25-12)19-16(22)10-15-18(24)20-14-7-3-2-6-13(14)17(23)21-15/h2-8,11,15H,9-10H2,1H3,(H,19,22)(H,20,24)(H,21,23)/t11-,15-/m1/s1
InChIKeyFSHAWAQWSNTJMX-IAQYHMDHSA-N
XLogP1.47
TPSA100.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-[1-(furan-2-yl)propan-2-yl]propanamide
CID 75531922
2-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-[2-(furan-2-yl)ethyl]acetamide
CID 98207379
2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-(1-phenylethyl)acetamide
CID 118985656
2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-(1-phenylethyl)acetamide
CID 75465794
N-butan-2-yl-3-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]propanamide
CID 75465769
2-(azetidin-3-yl)-N-[1-(furan-2-yl)propan-2-yl]acetamide
CID 64617974
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)acetamide
CID 71831255
N-[1-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)acetamide
CID 110209782
N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]acetamide
CID 97045827
3-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-[(2R)-1-methoxypropan-2-yl]propanamide
CID 51697221
N-cyclohexyl-2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]acetamide
CID 51829766
2-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 97263551

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-[(2R)-1-(furan-2-yl)propan-2-yl]acetamide?
The IUPAC name of 2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-[(2R)-1-(furan-2-yl)propan-2-yl]acetamide (CID 97424970) is 2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-[(2R)-1-(furan-2-yl)propan-2-yl]acetamide.
What is the SMILES notation for 2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-[(2R)-1-(furan-2-yl)propan-2-yl]acetamide?
The canonical SMILES for 2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-[(2R)-1-(furan-2-yl)propan-2-yl]acetamide is C[C@H](Cc1ccco1)NC(=O)C[C@H]1NC(=O)c2ccccc2NC1=O.
What is the InChIKey of 2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-[(2R)-1-(furan-2-yl)propan-2-yl]acetamide?
The InChIKey is FSHAWAQWSNTJMX-IAQYHMDHSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-11(9-12-5-4-8-25-12)19-16(22)10-15-18(24)20-14-7-3-2-6-13(14)17(23)21-15/h2-8,11,15H,9-10H2,1H3,(H,19,22)(H,20,24)(H,21,23)/t11-,15-/m1/s1.
What are the key properties of 2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-[(2R)-1-(furan-2-yl)propan-2-yl]acetamide?
2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-[(2R)-1-(furan-2-yl)propan-2-yl]acetamide has a molecular weight of 341.37 g/mol, XLogP of 1.47, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-[(2R)-1-(furan-2-yl)propan-2-yl]acetamide is sourced from PubChem (CID 97424970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).