1-cyclopropyl-3-[2-[(3R)-3-ethyl-1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-2-oxoethyl]urea

C18H26N4O2 — CID 97053886

About 1-cyclopropyl-3-[2-[(3R)-3-ethyl-1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-2-oxoethyl]urea

1-cyclopropyl-3-[2-[(3R)-3-ethyl-1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-2-oxoethyl]urea (PubChem CID 97053886) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-cyclopropyl-3-[2-[(3R)-3-ethyl-1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-2-oxoethyl]urea.

Molecular Properties

• Compound Name: 1-cyclopropyl-3-[2-[(3R)-3-ethyl-1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-2-oxoethyl]urea
• PubChem CID: 97053886
• Molecular Formula: C18H26N4O2
• Molecular Weight: 330.43 g/mol
• Exact Mass: 330.21
• IUPAC Name: 1-cyclopropyl-3-[2-[(3R)-3-ethyl-1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-2-oxoethyl]urea
• SMILES: CC[C@@H]1CN(C)c2ccccc2CN1C(=O)CNC(=O)NC1CC1
• InChI: InChI=1S/C18H26N4O2/c1-3-15-12-21(2)16-7-5-4-6-13(16)11-22(15)17(23)10-19-18(24)20-14-8-9-14/h4-7,14-15H,3,8-12H2,1-2H3,(H2,19,20,24)/t15-/m1/s1
• InChIKey: AEEGRRIFLRRVJK-OAHLLOKOSA-N
• XLogP: 1.71
• TPSA: 64.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	330.43
LogP ≤ 5	1.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[2-[(3R)-3-ethyl-1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-2-oxoethyl]urea?

The IUPAC name of 1-cyclopropyl-3-[2-[(3R)-3-ethyl-1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-2-oxoethyl]urea (CID 97053886) is 1-cyclopropyl-3-[2-[(3R)-3-ethyl-1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-2-oxoethyl]urea.

What is the SMILES notation for 1-cyclopropyl-3-[2-[(3R)-3-ethyl-1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-2-oxoethyl]urea?

The canonical SMILES for 1-cyclopropyl-3-[2-[(3R)-3-ethyl-1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-2-oxoethyl]urea is CC[C@@H]1CN(C)c2ccccc2CN1C(=O)CNC(=O)NC1CC1.

What is the InChIKey of 1-cyclopropyl-3-[2-[(3R)-3-ethyl-1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-2-oxoethyl]urea?

The InChIKey is AEEGRRIFLRRVJK-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-3-15-12-21(2)16-7-5-4-6-13(16)11-22(15)17(23)10-19-18(24)20-14-8-9-14/h4-7,14-15H,3,8-12H2,1-2H3,(H2,19,20,24)/t15-/m1/s1.

What are the key properties of 1-cyclopropyl-3-[2-[(3R)-3-ethyl-1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-2-oxoethyl]urea?

1-cyclopropyl-3-[2-[(3R)-3-ethyl-1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-2-oxoethyl]urea has a molecular weight of 330.43 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopropyl-3-[2-[(3R)-3-ethyl-1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-2-oxoethyl]urea is sourced from PubChem (CID 97053886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).