2-amino-N-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]acetamide

C46H34N6O — CID 136884117

IUPAC2-amino-N-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]acetamide
SMILESNCC(=O)Nc1ccc(-c2c3nc(c(-c4ccccc4)c4ccc([nH]4)c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1
InChIInChI=1S/C46H34N6O/c47-28-42(53)48-33-18-16-32(17-19-33)46-40-26-24-38(51-40)44(30-12-6-2-7-13-30)36-22-20-34(49-36)43(29-10-4-1-5-11-29)35-21-23-37(50-35)45(31-14-8-3-9-15-31)39-25-27-41(46)52-39/h1-27,49,52H,28,47H2,(H,48,53)/b43-34-,43-35-,44-36-,44-38-,45-37-,45-39-,46-40-,46-41-
InChIKeyUCAGJMOONGCQQY-KQWSROBNSA-N
MW686.82 g/mol
LogP10.22
Rot. Bonds6

About 2-amino-N-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]acetamide

2-amino-N-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]acetamide (PubChem CID 136884117) has the molecular formula C46H34N6O and a molecular weight of 686.82 g/mol. Its IUPAC name is 2-amino-N-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]acetamide
PubChem CID136884117
Molecular FormulaC46H34N6O
Molecular Weight686.82 g/mol
Exact Mass686.28
IUPAC Name2-amino-N-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]acetamide
SMILESNCC(=O)Nc1ccc(-c2c3nc(c(-c4ccccc4)c4ccc([nH]4)c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1
InChIInChI=1S/C46H34N6O/c47-28-42(53)48-33-18-16-32(17-19-33)46-40-26-24-38(51-40)44(30-12-6-2-7-13-30)36-22-20-34(49-36)43(29-10-4-1-5-11-29)35-21-23-37(50-35)45(31-14-8-3-9-15-31)39-25-27-41(46)52-39/h1-27,49,52H,28,47H2,(H,48,53)/b43-34-,43-35-,44-36-,44-38-,45-37-,45-39-,46-40-,46-41-
InChIKeyUCAGJMOONGCQQY-KQWSROBNSA-N
XLogP10.22
TPSA112.48 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.82
LogP ≤ 510.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-amino-N-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-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

2-[carboxymethyl-[2-oxo-2-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)anilino]ethyl]amino]acetic acid
CID 136805905
4-chloro-N-[4-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)phenyl]butanamide
CID 10887120
4-oxo-4-[4-[10,15,20-tris[4-(3-carboxypropanoylamino)phenyl]-21,23-dihydroporphyrin-5-yl]anilino]butanoic acid
CID 102386285
8-amino-N-[4-[10,15,20-tris[4-(8-aminooctanoylamino)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]octanamide
CID 135542396
ethyl 2-[(2-ethoxy-2-oxoethyl)-[2-oxo-2-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)anilino]ethyl]amino]acetate
CID 136805897
N-[4-[10,15,20-tris[4-(octanoylamino)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]octanamide
CID 136810655
N-[4-[10,15,20-tris[4-(hexadecanoylamino)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]hexadecanamide
CID 136826487
2-amino-N-(4-phenylphenyl)acetamide
CID 43218250
N-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]dodecanamide
CID 135978112
4-(5,15-diphenyl-22,23-dihydro-21H-corrin-10-yl)benzoic acid
CID 136902021
4-(2-pyridin-2-yl-4-pyridinyl)-N-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]butanamide
CID 177401230
copper 5,10,15,20-tetraphenyl-21,22-dihydroporphyrin
CID 57348333

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]acetamide?
The IUPAC name of 2-amino-N-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]acetamide (CID 136884117) is 2-amino-N-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]acetamide.
What is the SMILES notation for 2-amino-N-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]acetamide?
The canonical SMILES for 2-amino-N-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]acetamide is NCC(=O)Nc1ccc(-c2c3nc(c(-c4ccccc4)c4ccc([nH]4)c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1.
What is the InChIKey of 2-amino-N-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]acetamide?
The InChIKey is UCAGJMOONGCQQY-KQWSROBNSA-N. The full InChI is InChI=1S/C46H34N6O/c47-28-42(53)48-33-18-16-32(17-19-33)46-40-26-24-38(51-40)44(30-12-6-2-7-13-30)36-22-20-34(49-36)43(29-10-4-1-5-11-29)35-21-23-37(50-35)45(31-14-8-3-9-15-31)39-25-27-41(46)52-39/h1-27,49,52H,28,47H2,(H,48,53)/b43-34-,43-35-,44-36-,44-38-,45-37-,45-39-,46-40-,46-41-.
What are the key properties of 2-amino-N-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]acetamide?
2-amino-N-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]acetamide has a molecular weight of 686.82 g/mol, XLogP of 10.22, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]acetamide is sourced from PubChem (CID 136884117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).