[(2R)-2-[cyclopropyl(methyl)amino]-3-[3-(difluoromethyl)-4-(3-oxomorpholin-4-yl)anilino]-3-oxopropyl]azanide

C18H23F2N4O3- — CID 159790402

About [(2R)-2-[cyclopropyl(methyl)amino]-3-[3-(difluoromethyl)-4-(3-oxomorpholin-4-yl)anilino]-3-oxopropyl]azanide

[(2R)-2-[cyclopropyl(methyl)amino]-3-[3-(difluoromethyl)-4-(3-oxomorpholin-4-yl)anilino]-3-oxopropyl]azanide (PubChem CID 159790402) has the molecular formula C18H23F2N4O3- and a molecular weight of 381.40 g/mol. Its IUPAC name is [(2R)-2-[cyclopropyl(methyl)amino]-3-[3-(difluoromethyl)-4-(3-oxomorpholin-4-yl)anilino]-3-oxopropyl]azanide.

Molecular Properties

• Compound Name: [(2R)-2-[cyclopropyl(methyl)amino]-3-[3-(difluoromethyl)-4-(3-oxomorpholin-4-yl)anilino]-3-oxopropyl]azanide
• PubChem CID: 159790402
• Molecular Formula: C18H23F2N4O3-
• Molecular Weight: 381.40 g/mol
• Exact Mass: 381.17
• IUPAC Name: [(2R)-2-[cyclopropyl(methyl)amino]-3-[3-(difluoromethyl)-4-(3-oxomorpholin-4-yl)anilino]-3-oxopropyl]azanide
• SMILES: CN(C1CC1)[C@H](C[NH-])C(=O)Nc1ccc(N2CCOCC2=O)c(C(F)F)c1
• InChI: InChI=1S/C18H23F2N4O3/c1-23(12-3-4-12)15(9-21)18(26)22-11-2-5-14(13(8-11)17(19)20)24-6-7-27-10-16(24)25/h2,5,8,12,15,17,21H,3-4,6-7,9-10H2,1H3,(H,22,26)/q-1/t15-/m1/s1
• InChIKey: NIMGMKLLXHKRJD-OAHLLOKOSA-N
• XLogP: 2.44
• TPSA: 85.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.40
LogP ≤ 5	2.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[cyclopropyl(methyl)amino]-3-[3-(difluoromethyl)-4-(3-oxomorpholin-4-yl)anilino]-3-oxopropyl]azanide?

The IUPAC name of [(2R)-2-[cyclopropyl(methyl)amino]-3-[3-(difluoromethyl)-4-(3-oxomorpholin-4-yl)anilino]-3-oxopropyl]azanide (CID 159790402) is [(2R)-2-[cyclopropyl(methyl)amino]-3-[3-(difluoromethyl)-4-(3-oxomorpholin-4-yl)anilino]-3-oxopropyl]azanide.

What is the SMILES notation for [(2R)-2-[cyclopropyl(methyl)amino]-3-[3-(difluoromethyl)-4-(3-oxomorpholin-4-yl)anilino]-3-oxopropyl]azanide?

The canonical SMILES for [(2R)-2-[cyclopropyl(methyl)amino]-3-[3-(difluoromethyl)-4-(3-oxomorpholin-4-yl)anilino]-3-oxopropyl]azanide is CN(C1CC1)[C@H](C[NH-])C(=O)Nc1ccc(N2CCOCC2=O)c(C(F)F)c1.

What is the InChIKey of [(2R)-2-[cyclopropyl(methyl)amino]-3-[3-(difluoromethyl)-4-(3-oxomorpholin-4-yl)anilino]-3-oxopropyl]azanide?

The InChIKey is NIMGMKLLXHKRJD-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H23F2N4O3/c1-23(12-3-4-12)15(9-21)18(26)22-11-2-5-14(13(8-11)17(19)20)24-6-7-27-10-16(24)25/h2,5,8,12,15,17,21H,3-4,6-7,9-10H2,1H3,(H,22,26)/q-1/t15-/m1/s1.

What are the key properties of [(2R)-2-[cyclopropyl(methyl)amino]-3-[3-(difluoromethyl)-4-(3-oxomorpholin-4-yl)anilino]-3-oxopropyl]azanide?

[(2R)-2-[cyclopropyl(methyl)amino]-3-[3-(difluoromethyl)-4-(3-oxomorpholin-4-yl)anilino]-3-oxopropyl]azanide has a molecular weight of 381.40 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-2-[cyclopropyl(methyl)amino]-3-[3-(difluoromethyl)-4-(3-oxomorpholin-4-yl)anilino]-3-oxopropyl]azanide is sourced from PubChem (CID 159790402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).