(1S)-N-[3-[[(1R)-2,2-dimethylcyclopropanecarbonyl]amino]-2-[15-[2-[[(1R)-2,2-dimethylcyclopropanecarbonyl]amino]-6-[[(1S)-2,2-dimethylcyclopropanecarbonyl]amino]phenyl]-10,20-diphenyl-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]-2,2-dimethylcyclopropane-1-carboxamide

C68H68N8O4 — CID 91013926

About (1S)-N-[3-[[(1R)-2,2-dimethylcyclopropanecarbonyl]amino]-2-[15-[2-[[(1R)-2,2-dimethylcyclopropanecarbonyl]amino]-6-[[(1S)-2,2-dimethylcyclopropanecarbonyl]amino]phenyl]-10,20-diphenyl-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]-2,2-dimethylcyclopropane-1-carboxamide

(1S)-N-[3-[[(1R)-2,2-dimethylcyclopropanecarbonyl]amino]-2-[15-[2-[[(1R)-2,2-dimethylcyclopropanecarbonyl]amino]-6-[[(1S)-2,2-dimethylcyclopropanecarbonyl]amino]phenyl]-10,20-diphenyl-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]-2,2-dimethylcyclopropane-1-carboxamide (PubChem CID 91013926) has the molecular formula C68H68N8O4 and a molecular weight of 1061.34 g/mol. Its IUPAC name is (1S)-N-[3-[[(1R)-2,2-dimethylcyclopropanecarbonyl]amino]-2-[15-[2-[[(1R)-2,2-dimethylcyclopropanecarbonyl]amino]-6-[[(1S)-2,2-dimethylcyclopropanecarbonyl]amino]phenyl]-10,20-diphenyl-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]-2,2-dimethylcyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: (1S)-N-[3-[[(1R)-2,2-dimethylcyclopropanecarbonyl]amino]-2-[15-[2-[[(1R)-2,2-dimethylcyclopropanecarbonyl]amino]-6-[[(1S)-2,2-dimethylcyclopropanecarbonyl]amino]phenyl]-10,20-diphenyl-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]-2,2-dimethylcyclopropane-1-carboxamide
• PubChem CID: 91013926
• Molecular Formula: C68H68N8O4
• Molecular Weight: 1061.34 g/mol
• Exact Mass: 1060.54
• IUPAC Name: (1S)-N-[3-[[(1R)-2,2-dimethylcyclopropanecarbonyl]amino]-2-[15-[2-[[(1R)-2,2-dimethylcyclopropanecarbonyl]amino]-6-[[(1S)-2,2-dimethylcyclopropanecarbonyl]amino]phenyl]-10,20-diphenyl-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]-2,2-dimethylcyclopropane-1-carboxamide
• SMILES: CC1(C)C[C@@H]1C(=O)Nc1cccc(NC(=O)[C@@H]2CC2(C)C)c1C1=c2ccc([nH]2)=C(c2ccccc2)c2ccc([nH]2)C(c2c(NC(=O)[C@H]3CC3(C)C)cccc2NC(=O)[C@@H]2CC2(C)C)=c2ccc([nH]2)=C(c2ccccc2)c2ccc1[nH]2
• InChI: InChI=1S/C68H68N8O4/c1-65(2)33-39(65)61(77)73-43-21-15-22-44(74-62(78)40-34-66(40,3)4)57(43)59-51-29-25-47(69-51)55(37-17-11-9-12-18-37)49-27-31-53(71-49)60(54-32-28-50(72-54)56(38-19-13-10-14-20-38)48-26-30-52(59)70-48)58-45(75-63(79)41-35-67(41,5)6)23-16-24-46(58)76-64(80)42-36-68(42,7)8/h9-32,39-42,69-72H,33-36H2,1-8H3,(H,73,77)(H,74,78)(H,75,79)(H,76,80)/t39-,40+,41-,42+
• InChIKey: KFCRCBBOSAVXIB-LDCYWHLHSA-N
• XLogP: 10.24
• TPSA: 179.56 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1061.34
LogP ≤ 5	10.24
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[3-[[(1R)-2,2-dimethylcyclopropanecarbonyl]amino]-2-[15-[2-[[(1R)-2,2-dimethylcyclopropanecarbonyl]amino]-6-[[(1S)-2,2-dimethylcyclopropanecarbonyl]amino]phenyl]-10,20-diphenyl-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]-2,2-dimethylcyclopropane-1-carboxamide?

The IUPAC name of (1S)-N-[3-[[(1R)-2,2-dimethylcyclopropanecarbonyl]amino]-2-[15-[2-[[(1R)-2,2-dimethylcyclopropanecarbonyl]amino]-6-[[(1S)-2,2-dimethylcyclopropanecarbonyl]amino]phenyl]-10,20-diphenyl-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]-2,2-dimethylcyclopropane-1-carboxamide (CID 91013926) is (1S)-N-[3-[[(1R)-2,2-dimethylcyclopropanecarbonyl]amino]-2-[15-[2-[[(1R)-2,2-dimethylcyclopropanecarbonyl]amino]-6-[[(1S)-2,2-dimethylcyclopropanecarbonyl]amino]phenyl]-10,20-diphenyl-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]-2,2-dimethylcyclopropane-1-carboxamide.

What is the SMILES notation for (1S)-N-[3-[[(1R)-2,2-dimethylcyclopropanecarbonyl]amino]-2-[15-[2-[[(1R)-2,2-dimethylcyclopropanecarbonyl]amino]-6-[[(1S)-2,2-dimethylcyclopropanecarbonyl]amino]phenyl]-10,20-diphenyl-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]-2,2-dimethylcyclopropane-1-carboxamide?

The canonical SMILES for (1S)-N-[3-[[(1R)-2,2-dimethylcyclopropanecarbonyl]amino]-2-[15-[2-[[(1R)-2,2-dimethylcyclopropanecarbonyl]amino]-6-[[(1S)-2,2-dimethylcyclopropanecarbonyl]amino]phenyl]-10,20-diphenyl-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]-2,2-dimethylcyclopropane-1-carboxamide is CC1(C)C[C@@H]1C(=O)Nc1cccc(NC(=O)[C@@H]2CC2(C)C)c1C1=c2ccc([nH]2)=C(c2ccccc2)c2ccc([nH]2)C(c2c(NC(=O)[C@H]3CC3(C)C)cccc2NC(=O)[C@@H]2CC2(C)C)=c2ccc([nH]2)=C(c2ccccc2)c2ccc1[nH]2.

What is the InChIKey of (1S)-N-[3-[[(1R)-2,2-dimethylcyclopropanecarbonyl]amino]-2-[15-[2-[[(1R)-2,2-dimethylcyclopropanecarbonyl]amino]-6-[[(1S)-2,2-dimethylcyclopropanecarbonyl]amino]phenyl]-10,20-diphenyl-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]-2,2-dimethylcyclopropane-1-carboxamide?

The InChIKey is KFCRCBBOSAVXIB-LDCYWHLHSA-N. The full InChI is InChI=1S/C68H68N8O4/c1-65(2)33-39(65)61(77)73-43-21-15-22-44(74-62(78)40-34-66(40,3)4)57(43)59-51-29-25-47(69-51)55(37-17-11-9-12-18-37)49-27-31-53(71-49)60(54-32-28-50(72-54)56(38-19-13-10-14-20-38)48-26-30-52(59)70-48)58-45(75-63(79)41-35-67(41,5)6)23-16-24-46(58)76-64(80)42-36-68(42,7)8/h9-32,39-42,69-72H,33-36H2,1-8H3,(H,73,77)(H,74,78)(H,75,79)(H,76,80)/t39-,40+,41-,42+.

What are the key properties of (1S)-N-[3-[[(1R)-2,2-dimethylcyclopropanecarbonyl]amino]-2-[15-[2-[[(1R)-2,2-dimethylcyclopropanecarbonyl]amino]-6-[[(1S)-2,2-dimethylcyclopropanecarbonyl]amino]phenyl]-10,20-diphenyl-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]-2,2-dimethylcyclopropane-1-carboxamide?

(1S)-N-[3-[[(1R)-2,2-dimethylcyclopropanecarbonyl]amino]-2-[15-[2-[[(1R)-2,2-dimethylcyclopropanecarbonyl]amino]-6-[[(1S)-2,2-dimethylcyclopropanecarbonyl]amino]phenyl]-10,20-diphenyl-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]-2,2-dimethylcyclopropane-1-carboxamide has a molecular weight of 1061.34 g/mol, XLogP of 10.24, 12 rotatable bonds, 8 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (1S)-N-[3-[[(1R)-2,2-dimethylcyclopropanecarbonyl]amino]-2-[15-[2-[[(1R)-2,2-dimethylcyclopropanecarbonyl]amino]-6-[[(1S)-2,2-dimethylcyclopropanecarbonyl]amino]phenyl]-10,20-diphenyl-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]-2,2-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 91013926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).