2-methyl-N-[1-(2-methylcyclopropanecarbonyl)-5-oxo-3,4-dihydro-2H-1,4-benzodiazepin-9-yl]cyclopropane-1-carboxamide

C19H23N3O3 — CID 166385705

IUPAC2-methyl-N-[1-(2-methylcyclopropanecarbonyl)-5-oxo-3,4-dihydro-2H-1,4-benzodiazepin-9-yl]cyclopropane-1-carboxamide
SMILESCC1CC1C(=O)Nc1cccc2c1N(C(=O)C1CC1C)CCNC2=O
InChIInChI=1S/C19H23N3O3/c1-10-8-13(10)18(24)21-15-5-3-4-12-16(15)22(7-6-20-17(12)23)19(25)14-9-11(14)2/h3-5,10-11,13-14H,6-9H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyFMRXKNIIANEXSL-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.01
Rot. Bonds3

About 2-methyl-N-[1-(2-methylcyclopropanecarbonyl)-5-oxo-3,4-dihydro-2H-1,4-benzodiazepin-9-yl]cyclopropane-1-carboxamide

2-methyl-N-[1-(2-methylcyclopropanecarbonyl)-5-oxo-3,4-dihydro-2H-1,4-benzodiazepin-9-yl]cyclopropane-1-carboxamide (PubChem CID 166385705) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-methyl-N-[1-(2-methylcyclopropanecarbonyl)-5-oxo-3,4-dihydro-2H-1,4-benzodiazepin-9-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[1-(2-methylcyclopropanecarbonyl)-5-oxo-3,4-dihydro-2H-1,4-benzodiazepin-9-yl]cyclopropane-1-carboxamide
PubChem CID166385705
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name2-methyl-N-[1-(2-methylcyclopropanecarbonyl)-5-oxo-3,4-dihydro-2H-1,4-benzodiazepin-9-yl]cyclopropane-1-carboxamide
SMILESCC1CC1C(=O)Nc1cccc2c1N(C(=O)C1CC1C)CCNC2=O
InChIInChI=1S/C19H23N3O3/c1-10-8-13(10)18(24)21-15-5-3-4-12-16(15)22(7-6-20-17(12)23)19(25)14-9-11(14)2/h3-5,10-11,13-14H,6-9H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyFMRXKNIIANEXSL-UHFFFAOYSA-N
XLogP2.01
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(2-methylcyclopropanecarbonyl)-5-oxo-3,4-dihydro-2H-1,4-benzodiazepin-9-yl]cyclopropane-1-carboxamide?
The IUPAC name of 2-methyl-N-[1-(2-methylcyclopropanecarbonyl)-5-oxo-3,4-dihydro-2H-1,4-benzodiazepin-9-yl]cyclopropane-1-carboxamide (CID 166385705) is 2-methyl-N-[1-(2-methylcyclopropanecarbonyl)-5-oxo-3,4-dihydro-2H-1,4-benzodiazepin-9-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-methyl-N-[1-(2-methylcyclopropanecarbonyl)-5-oxo-3,4-dihydro-2H-1,4-benzodiazepin-9-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-methyl-N-[1-(2-methylcyclopropanecarbonyl)-5-oxo-3,4-dihydro-2H-1,4-benzodiazepin-9-yl]cyclopropane-1-carboxamide is CC1CC1C(=O)Nc1cccc2c1N(C(=O)C1CC1C)CCNC2=O.
What is the InChIKey of 2-methyl-N-[1-(2-methylcyclopropanecarbonyl)-5-oxo-3,4-dihydro-2H-1,4-benzodiazepin-9-yl]cyclopropane-1-carboxamide?
The InChIKey is FMRXKNIIANEXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-10-8-13(10)18(24)21-15-5-3-4-12-16(15)22(7-6-20-17(12)23)19(25)14-9-11(14)2/h3-5,10-11,13-14H,6-9H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of 2-methyl-N-[1-(2-methylcyclopropanecarbonyl)-5-oxo-3,4-dihydro-2H-1,4-benzodiazepin-9-yl]cyclopropane-1-carboxamide?
2-methyl-N-[1-(2-methylcyclopropanecarbonyl)-5-oxo-3,4-dihydro-2H-1,4-benzodiazepin-9-yl]cyclopropane-1-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(2-methylcyclopropanecarbonyl)-5-oxo-3,4-dihydro-2H-1,4-benzodiazepin-9-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 166385705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).