N-[2-[5-(2-chloro-3-methoxyphenyl)-3-[2-[4-(7-methoxy-2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]-2-oxoethyl]-2,6-dioxopyrimidin-1-yl]propyl]-2-methylpropanamide

C35H43ClN6O7 — CID 134261821

About N-[2-[5-(2-chloro-3-methoxyphenyl)-3-[2-[4-(7-methoxy-2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]-2-oxoethyl]-2,6-dioxopyrimidin-1-yl]propyl]-2-methylpropanamide

N-[2-[5-(2-chloro-3-methoxyphenyl)-3-[2-[4-(7-methoxy-2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]-2-oxoethyl]-2,6-dioxopyrimidin-1-yl]propyl]-2-methylpropanamide (PubChem CID 134261821) has the molecular formula C35H43ClN6O7 and a molecular weight of 695.22 g/mol. Its IUPAC name is N-[2-[5-(2-chloro-3-methoxyphenyl)-3-[2-[4-(7-methoxy-2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]-2-oxoethyl]-2,6-dioxopyrimidin-1-yl]propyl]-2-methylpropanamide.

Molecular Properties

• Compound Name: N-[2-[5-(2-chloro-3-methoxyphenyl)-3-[2-[4-(7-methoxy-2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]-2-oxoethyl]-2,6-dioxopyrimidin-1-yl]propyl]-2-methylpropanamide
• PubChem CID: 134261821
• Molecular Formula: C35H43ClN6O7
• Molecular Weight: 695.22 g/mol
• Exact Mass: 694.29
• IUPAC Name: N-[2-[5-(2-chloro-3-methoxyphenyl)-3-[2-[4-(7-methoxy-2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]-2-oxoethyl]-2,6-dioxopyrimidin-1-yl]propyl]-2-methylpropanamide
• SMILES: COc1ccc2c(c1)CCN(C1CCN(C(=O)Cn3cc(-c4cccc(OC)c4Cl)c(=O)n(C(C)CNC(=O)C(C)C)c3=O)CC1)C(=O)N2
• InChI: InChI=1S/C35H43ClN6O7/c1-21(2)32(44)37-18-22(3)42-33(45)27(26-7-6-8-29(49-5)31(26)36)19-40(35(42)47)20-30(43)39-14-12-24(13-15-39)41-16-11-23-17-25(48-4)9-10-28(23)38-34(41)46/h6-10,17,19,21-22,24H,11-16,18,20H2,1-5H3,(H,37,44)(H,38,46)
• InChIKey: FHHCCHULEMSULL-UHFFFAOYSA-N
• XLogP: 3.76
• TPSA: 144.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	695.22
LogP ≤ 5	3.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(2-chloro-3-methoxyphenyl)-3-[2-[4-(7-methoxy-2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]-2-oxoethyl]-2,6-dioxopyrimidin-1-yl]propyl]-2-methylpropanamide?

The IUPAC name of N-[2-[5-(2-chloro-3-methoxyphenyl)-3-[2-[4-(7-methoxy-2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]-2-oxoethyl]-2,6-dioxopyrimidin-1-yl]propyl]-2-methylpropanamide (CID 134261821) is N-[2-[5-(2-chloro-3-methoxyphenyl)-3-[2-[4-(7-methoxy-2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]-2-oxoethyl]-2,6-dioxopyrimidin-1-yl]propyl]-2-methylpropanamide.

What is the SMILES notation for N-[2-[5-(2-chloro-3-methoxyphenyl)-3-[2-[4-(7-methoxy-2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]-2-oxoethyl]-2,6-dioxopyrimidin-1-yl]propyl]-2-methylpropanamide?

The canonical SMILES for N-[2-[5-(2-chloro-3-methoxyphenyl)-3-[2-[4-(7-methoxy-2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]-2-oxoethyl]-2,6-dioxopyrimidin-1-yl]propyl]-2-methylpropanamide is COc1ccc2c(c1)CCN(C1CCN(C(=O)Cn3cc(-c4cccc(OC)c4Cl)c(=O)n(C(C)CNC(=O)C(C)C)c3=O)CC1)C(=O)N2.

What is the InChIKey of N-[2-[5-(2-chloro-3-methoxyphenyl)-3-[2-[4-(7-methoxy-2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]-2-oxoethyl]-2,6-dioxopyrimidin-1-yl]propyl]-2-methylpropanamide?

The InChIKey is FHHCCHULEMSULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H43ClN6O7/c1-21(2)32(44)37-18-22(3)42-33(45)27(26-7-6-8-29(49-5)31(26)36)19-40(35(42)47)20-30(43)39-14-12-24(13-15-39)41-16-11-23-17-25(48-4)9-10-28(23)38-34(41)46/h6-10,17,19,21-22,24H,11-16,18,20H2,1-5H3,(H,37,44)(H,38,46).

What are the key properties of N-[2-[5-(2-chloro-3-methoxyphenyl)-3-[2-[4-(7-methoxy-2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]-2-oxoethyl]-2,6-dioxopyrimidin-1-yl]propyl]-2-methylpropanamide?

N-[2-[5-(2-chloro-3-methoxyphenyl)-3-[2-[4-(7-methoxy-2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]-2-oxoethyl]-2,6-dioxopyrimidin-1-yl]propyl]-2-methylpropanamide has a molecular weight of 695.22 g/mol, XLogP of 3.76, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[5-(2-chloro-3-methoxyphenyl)-3-[2-[4-(7-methoxy-2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]-2-oxoethyl]-2,6-dioxopyrimidin-1-yl]propyl]-2-methylpropanamide is sourced from PubChem (CID 134261821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).