2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[17-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]acetamide

C54H62N6O10 — CID 101235702

About 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[17-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]acetamide

2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[17-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]acetamide (PubChem CID 101235702) has the molecular formula C54H62N6O10 and a molecular weight of 955.12 g/mol. Its IUPAC name is 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[17-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]acetamide.

Molecular Properties

• Compound Name: 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[17-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]acetamide
• PubChem CID: 101235702
• Molecular Formula: C54H62N6O10
• Molecular Weight: 955.12 g/mol
• Exact Mass: 954.45
• IUPAC Name: 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[17-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]acetamide
• SMILES: CCCOc1c2cccc1Cc1cc(NC(=O)Cn3cc(C)c(=O)[nH]c3=O)cc(c1OCCC)Cc1cccc(c1OCCC)Cc1cc(NC(=O)Cn3cc(C)c(=O)[nH]c3=O)cc(c1OCCC)C2
• InChI: InChI=1S/C54H62N6O10/c1-7-17-67-47-35-13-11-14-36(47)22-40-26-44(56-46(62)32-60-30-34(6)52(64)58-54(60)66)28-42(50(40)70-20-10-4)24-38-16-12-15-37(48(38)68-18-8-2)23-41-27-43(25-39(21-35)49(41)69-19-9-3)55-45(61)31-59-29-33(5)51(63)57-53(59)65/h11-16,25-30H,7-10,17-24,31-32H2,1-6H3,(H,55,61)(H,56,62)(H,57,63,65)(H,58,64,66)
• InChIKey: AMUSMNXWGWBZLX-UHFFFAOYSA-N
• XLogP: 7.11
• TPSA: 204.84 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 18
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	955.12
LogP ≤ 5	7.11
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[17-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]acetamide?

The IUPAC name of 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[17-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]acetamide (CID 101235702) is 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[17-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]acetamide.

What is the SMILES notation for 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[17-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]acetamide?

The canonical SMILES for 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[17-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]acetamide is CCCOc1c2cccc1Cc1cc(NC(=O)Cn3cc(C)c(=O)[nH]c3=O)cc(c1OCCC)Cc1cccc(c1OCCC)Cc1cc(NC(=O)Cn3cc(C)c(=O)[nH]c3=O)cc(c1OCCC)C2.

What is the InChIKey of 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[17-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]acetamide?

The InChIKey is AMUSMNXWGWBZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H62N6O10/c1-7-17-67-47-35-13-11-14-36(47)22-40-26-44(56-46(62)32-60-30-34(6)52(64)58-54(60)66)28-42(50(40)70-20-10-4)24-38-16-12-15-37(48(38)68-18-8-2)23-41-27-43(25-39(21-35)49(41)69-19-9-3)55-45(61)31-59-29-33(5)51(63)57-53(59)65/h11-16,25-30H,7-10,17-24,31-32H2,1-6H3,(H,55,61)(H,56,62)(H,57,63,65)(H,58,64,66).

What are the key properties of 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[17-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]acetamide?

2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[17-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]acetamide has a molecular weight of 955.12 g/mol, XLogP of 7.11, 18 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[17-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]acetamide is sourced from PubChem (CID 101235702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).