N-[4-[10,15,20-tris(3,5-dimethoxyphenyl)porphyrin-5-yl]phenyl]acetamide

C52H43N5O7 — CID 70040407

IUPACN-[4-[10,15,20-tris(3,5-dimethoxyphenyl)porphyrin-5-yl]phenyl]acetamide
SMILESCOc1cc(OC)cc(/C2=C3\C=CC(=N3)/C(c3cc(OC)cc(OC)c3)=C3/C=CC(=N3)/C(c3cc(OC)cc(OC)c3)=C3/C=CC(=N3)/C(c3ccc(NC(C)=O)cc3)=C3/C=CC2=N3)c1
InChIInChI=1S/C52H43N5O7/c1-29(58)53-34-10-8-30(9-11-34)49-41-12-14-43(54-41)50(31-20-35(59-2)26-36(21-31)60-3)45-16-18-47(56-45)52(33-24-39(63-6)28-40(25-33)64-7)48-19-17-46(57-48)51(44-15-13-42(49)55-44)32-22-37(61-4)27-38(23-32)62-5/h8-28H,1-7H3,(H,53,58)/b49-41-,49-42-,50-43-,50-45-,51-44-,51-46-,52-47-,52-48-
InChIKeyGTGJXWBSWBKAEA-RCOMQYLTSA-N
MW849.94 g/mol
LogP9.70
Rot. Bonds11

About N-[4-[10,15,20-tris(3,5-dimethoxyphenyl)porphyrin-5-yl]phenyl]acetamide

N-[4-[10,15,20-tris(3,5-dimethoxyphenyl)porphyrin-5-yl]phenyl]acetamide (PubChem CID 70040407) has the molecular formula C52H43N5O7 and a molecular weight of 849.94 g/mol. Its IUPAC name is N-[4-[10,15,20-tris(3,5-dimethoxyphenyl)porphyrin-5-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[10,15,20-tris(3,5-dimethoxyphenyl)porphyrin-5-yl]phenyl]acetamide
PubChem CID70040407
Molecular FormulaC52H43N5O7
Molecular Weight849.94 g/mol
Exact Mass849.32
IUPAC NameN-[4-[10,15,20-tris(3,5-dimethoxyphenyl)porphyrin-5-yl]phenyl]acetamide
SMILESCOc1cc(OC)cc(/C2=C3\C=CC(=N3)/C(c3cc(OC)cc(OC)c3)=C3/C=CC(=N3)/C(c3cc(OC)cc(OC)c3)=C3/C=CC(=N3)/C(c3ccc(NC(C)=O)cc3)=C3/C=CC2=N3)c1
InChIInChI=1S/C52H43N5O7/c1-29(58)53-34-10-8-30(9-11-34)49-41-12-14-43(54-41)50(31-20-35(59-2)26-36(21-31)60-3)45-16-18-47(56-45)52(33-24-39(63-6)28-40(25-33)64-7)48-19-17-46(57-48)51(44-15-13-42(49)55-44)32-22-37(61-4)27-38(23-32)62-5/h8-28H,1-7H3,(H,53,58)/b49-41-,49-42-,50-43-,50-45-,51-44-,51-46-,52-47-,52-48-
InChIKeyGTGJXWBSWBKAEA-RCOMQYLTSA-N
XLogP9.70
TPSA133.92 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500849.94
LogP ≤ 59.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze N-[4-[10,15,20-tris(3,5-dimethoxyphenyl)porphyrin-5-yl]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[(3,5-dimethoxyphenyl)carbamoylamino]phenyl]acetamide
CID 108869362
N-[4-[4-(3,5-dimethoxyphenyl)-1,3-oxazol-5-yl]phenyl]acetamide
CID 90115382
N-(3,5-dimethoxyphenyl)acetamide
CID 702039
N-[4-(3,5-dimethoxyphenyl)-3-nitrophenyl]acetamide
CID 177145216
N-[4-[(3,5-dimethoxyanilino)methyl]phenyl]acetamide
CID 43824322
N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]acetamide
CID 46845966
N-[4-[[6-(4-methoxyanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112866239
N-(4-methoxyphenyl)acetamide;sulfuryl dichloride
CID 88785543
N-(3-deuterio-4-methoxyphenyl)acetamide
CID 165008373
[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 3,5-dimethoxybenzoate
CID 2365218
N-(3,5-dideuterio-4-methoxyphenyl)acetamide
CID 167581920
N-(4-acetamidophenyl)-3-[2-(3,5-dimethoxybenzoyl)hydrazinyl]but-3-enamide
CID 4163114

Frequently Asked Questions

What is the IUPAC name of N-[4-[10,15,20-tris(3,5-dimethoxyphenyl)porphyrin-5-yl]phenyl]acetamide?
The IUPAC name of N-[4-[10,15,20-tris(3,5-dimethoxyphenyl)porphyrin-5-yl]phenyl]acetamide (CID 70040407) is N-[4-[10,15,20-tris(3,5-dimethoxyphenyl)porphyrin-5-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[10,15,20-tris(3,5-dimethoxyphenyl)porphyrin-5-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[10,15,20-tris(3,5-dimethoxyphenyl)porphyrin-5-yl]phenyl]acetamide is COc1cc(OC)cc(/C2=C3\C=CC(=N3)/C(c3cc(OC)cc(OC)c3)=C3/C=CC(=N3)/C(c3cc(OC)cc(OC)c3)=C3/C=CC(=N3)/C(c3ccc(NC(C)=O)cc3)=C3/C=CC2=N3)c1.
What is the InChIKey of N-[4-[10,15,20-tris(3,5-dimethoxyphenyl)porphyrin-5-yl]phenyl]acetamide?
The InChIKey is GTGJXWBSWBKAEA-RCOMQYLTSA-N. The full InChI is InChI=1S/C52H43N5O7/c1-29(58)53-34-10-8-30(9-11-34)49-41-12-14-43(54-41)50(31-20-35(59-2)26-36(21-31)60-3)45-16-18-47(56-45)52(33-24-39(63-6)28-40(25-33)64-7)48-19-17-46(57-48)51(44-15-13-42(49)55-44)32-22-37(61-4)27-38(23-32)62-5/h8-28H,1-7H3,(H,53,58)/b49-41-,49-42-,50-43-,50-45-,51-44-,51-46-,52-47-,52-48-.
What are the key properties of N-[4-[10,15,20-tris(3,5-dimethoxyphenyl)porphyrin-5-yl]phenyl]acetamide?
N-[4-[10,15,20-tris(3,5-dimethoxyphenyl)porphyrin-5-yl]phenyl]acetamide has a molecular weight of 849.94 g/mol, XLogP of 9.70, 11 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[10,15,20-tris(3,5-dimethoxyphenyl)porphyrin-5-yl]phenyl]acetamide is sourced from PubChem (CID 70040407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).