N-(4-hydroxyphenyl)-N-[(3-methylphenyl)methyl]-3-[6-[3-(morpholin-4-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-1,3-benzodioxol-5-yl]-5,6,7,8-tetrahydroindolizine-1-carboxamide

C45H46N4O6 — CID 165155907

About N-(4-hydroxyphenyl)-N-[(3-methylphenyl)methyl]-3-[6-[3-(morpholin-4-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-1,3-benzodioxol-5-yl]-5,6,7,8-tetrahydroindolizine-1-carboxamide

N-(4-hydroxyphenyl)-N-[(3-methylphenyl)methyl]-3-[6-[3-(morpholin-4-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-1,3-benzodioxol-5-yl]-5,6,7,8-tetrahydroindolizine-1-carboxamide (PubChem CID 165155907) has the molecular formula C45H46N4O6 and a molecular weight of 738.89 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-N-[(3-methylphenyl)methyl]-3-[6-[3-(morpholin-4-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-1,3-benzodioxol-5-yl]-5,6,7,8-tetrahydroindolizine-1-carboxamide.

Molecular Properties

• Compound Name: N-(4-hydroxyphenyl)-N-[(3-methylphenyl)methyl]-3-[6-[3-(morpholin-4-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-1,3-benzodioxol-5-yl]-5,6,7,8-tetrahydroindolizine-1-carboxamide
• PubChem CID: 165155907
• Molecular Formula: C45H46N4O6
• Molecular Weight: 738.89 g/mol
• Exact Mass: 738.34
• IUPAC Name: N-(4-hydroxyphenyl)-N-[(3-methylphenyl)methyl]-3-[6-[3-(morpholin-4-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-1,3-benzodioxol-5-yl]-5,6,7,8-tetrahydroindolizine-1-carboxamide
• SMILES: Cc1cccc(CN(C(=O)c2cc(-c3cc4c(cc3C(=O)N3Cc5ccccc5CC3CN3CCOCC3)OCO4)n3c2CCCC3)c2ccc(O)cc2)c1
• InChI: InChI=1S/C45H46N4O6/c1-30-7-6-8-31(21-30)26-48(34-12-14-36(50)15-13-34)45(52)39-23-41(47-16-5-4-11-40(39)47)37-24-42-43(55-29-54-42)25-38(37)44(51)49-27-33-10-3-2-9-32(33)22-35(49)28-46-17-19-53-20-18-46/h2-3,6-10,12-15,21,23-25,35,50H,4-5,11,16-20,22,26-29H2,1H3
• InChIKey: NPPIDTNKNGAOCC-UHFFFAOYSA-N
• XLogP: 6.98
• TPSA: 96.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	738.89
LogP ≤ 5	6.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-N-[(3-methylphenyl)methyl]-3-[6-[3-(morpholin-4-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-1,3-benzodioxol-5-yl]-5,6,7,8-tetrahydroindolizine-1-carboxamide?

The IUPAC name of N-(4-hydroxyphenyl)-N-[(3-methylphenyl)methyl]-3-[6-[3-(morpholin-4-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-1,3-benzodioxol-5-yl]-5,6,7,8-tetrahydroindolizine-1-carboxamide (CID 165155907) is N-(4-hydroxyphenyl)-N-[(3-methylphenyl)methyl]-3-[6-[3-(morpholin-4-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-1,3-benzodioxol-5-yl]-5,6,7,8-tetrahydroindolizine-1-carboxamide.

What is the SMILES notation for N-(4-hydroxyphenyl)-N-[(3-methylphenyl)methyl]-3-[6-[3-(morpholin-4-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-1,3-benzodioxol-5-yl]-5,6,7,8-tetrahydroindolizine-1-carboxamide?

The canonical SMILES for N-(4-hydroxyphenyl)-N-[(3-methylphenyl)methyl]-3-[6-[3-(morpholin-4-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-1,3-benzodioxol-5-yl]-5,6,7,8-tetrahydroindolizine-1-carboxamide is Cc1cccc(CN(C(=O)c2cc(-c3cc4c(cc3C(=O)N3Cc5ccccc5CC3CN3CCOCC3)OCO4)n3c2CCCC3)c2ccc(O)cc2)c1.

What is the InChIKey of N-(4-hydroxyphenyl)-N-[(3-methylphenyl)methyl]-3-[6-[3-(morpholin-4-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-1,3-benzodioxol-5-yl]-5,6,7,8-tetrahydroindolizine-1-carboxamide?

The InChIKey is NPPIDTNKNGAOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H46N4O6/c1-30-7-6-8-31(21-30)26-48(34-12-14-36(50)15-13-34)45(52)39-23-41(47-16-5-4-11-40(39)47)37-24-42-43(55-29-54-42)25-38(37)44(51)49-27-33-10-3-2-9-32(33)22-35(49)28-46-17-19-53-20-18-46/h2-3,6-10,12-15,21,23-25,35,50H,4-5,11,16-20,22,26-29H2,1H3.

What are the key properties of N-(4-hydroxyphenyl)-N-[(3-methylphenyl)methyl]-3-[6-[3-(morpholin-4-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-1,3-benzodioxol-5-yl]-5,6,7,8-tetrahydroindolizine-1-carboxamide?

N-(4-hydroxyphenyl)-N-[(3-methylphenyl)methyl]-3-[6-[3-(morpholin-4-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-1,3-benzodioxol-5-yl]-5,6,7,8-tetrahydroindolizine-1-carboxamide has a molecular weight of 738.89 g/mol, XLogP of 6.98, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-hydroxyphenyl)-N-[(3-methylphenyl)methyl]-3-[6-[3-(morpholin-4-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-1,3-benzodioxol-5-yl]-5,6,7,8-tetrahydroindolizine-1-carboxamide is sourced from PubChem (CID 165155907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).