13-ethyl-8-(methoxymethyl)-7,12,17,20-tetramethyl-2-propyl-2,3,22,23-tetrahydroporphyrin

C31H38N4O — CID 168897356

IUPAC13-ethyl-8-(methoxymethyl)-7,12,17,20-tetramethyl-2-propyl-2,3,22,23-tetrahydroporphyrin
SMILESCCCC1Cc2cc3[nH]c(cc4[nH]c(cc5nc(c(C)c1n2)C=C5C)c(CC)c4C)c(COC)c3C
InChIInChI=1S/C31H38N4O/c1-8-10-21-12-22-13-27-19(5)24(16-36-7)30(34-27)15-28-18(4)23(9-2)29(35-28)14-25-17(3)11-26(33-25)20(6)31(21)32-22/h11,13-15,21,34-35H,8-10,12,16H2,1-7H3/b22-13-,25-14-,26-20-,27-13-,28-15-,29-14-,30-15-,31-20-
InChIKeyREPAHBGZIAPRAR-KKKLJTOQSA-N
MW482.67 g/mol
LogP7.64
Rot. Bonds5

About 13-ethyl-8-(methoxymethyl)-7,12,17,20-tetramethyl-2-propyl-2,3,22,23-tetrahydroporphyrin

13-ethyl-8-(methoxymethyl)-7,12,17,20-tetramethyl-2-propyl-2,3,22,23-tetrahydroporphyrin (PubChem CID 168897356) has the molecular formula C31H38N4O and a molecular weight of 482.67 g/mol. Its IUPAC name is 13-ethyl-8-(methoxymethyl)-7,12,17,20-tetramethyl-2-propyl-2,3,22,23-tetrahydroporphyrin.

Molecular Properties

Compound Name13-ethyl-8-(methoxymethyl)-7,12,17,20-tetramethyl-2-propyl-2,3,22,23-tetrahydroporphyrin
PubChem CID168897356
Molecular FormulaC31H38N4O
Molecular Weight482.67 g/mol
Exact Mass482.30
IUPAC Name13-ethyl-8-(methoxymethyl)-7,12,17,20-tetramethyl-2-propyl-2,3,22,23-tetrahydroporphyrin
SMILESCCCC1Cc2cc3[nH]c(cc4[nH]c(cc5nc(c(C)c1n2)C=C5C)c(CC)c4C)c(COC)c3C
InChIInChI=1S/C31H38N4O/c1-8-10-21-12-22-13-27-19(5)24(16-36-7)30(34-27)15-28-18(4)23(9-2)29(35-28)14-25-17(3)11-26(33-25)20(6)31(21)32-22/h11,13-15,21,34-35H,8-10,12,16H2,1-7H3/b22-13-,25-14-,26-20-,27-13-,28-15-,29-14-,30-15-,31-20-
InChIKeyREPAHBGZIAPRAR-KKKLJTOQSA-N
XLogP7.64
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.67
LogP ≤ 57.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

8,13-diethyl-3,7,12,17,20-pentamethyl-2,3,22,23-tetrahydroporphyrin;propan-1-amine
CID 168897552
(2S,3S)-8-ethenyl-13-ethyl-3,7,12,17,20-pentamethyl-2-propyl-2,3,22,23-tetrahydroporphyrin
CID 171647998
8,13-diethyl-3,7,12,17,20-pentamethyl-2,3,22,23-tetrahydroporphyrin;methyl propanoate
CID 168897602
4-[(3S)-8,13-diethyl-3,7,12,17,20-pentamethyl-2,3,22,23-tetrahydroporphyrin-2-yl]butanoic acid
CID 174067364
sodium;(3S)-8,13-diethyl-3,7,12,17,20-pentamethyl-2,3,22,23-tetrahydroporphyrin;propanoate
CID 168897623
ethyl N-[(17-ethyl-3,7,10,13,18-pentamethyl-7,8,21,24-tetrahydroporphyrin-2-yl)methyl]-N-methylcarbamate;methyl propanoate
CID 168897432
8,13-diethyl-3,7,12,17,20-pentamethyl-2,3,22,23-tetrahydroporphyrin;N,N-dimethylpropanamide
CID 168897576
ethane;3-[(2S,3S)-8-ethenyl-13-ethyl-3,7,12,17,20-pentamethyl-2,3,22,23-tetrahydroporphyrin-2-yl]propanoic acid
CID 168897628
8-[1-(3-bromopropoxy)ethyl]-13-ethyl-3,7,12,17,20-pentamethyl-2,3,22,23-tetrahydroporphyrin
CID 168897295
(2R,4S,6S)-2-[3-[(2S,3S)-8-ethenyl-13-ethyl-3,7,12,17,20-pentamethyl-2,3,22,23-tetrahydroporphyrin-2-yl]propoxy]-6-(hydroxymethyl)oxan-4-ol
CID 174261182
(2S,4S,6S)-2-[3-[(2S,3S)-8-ethenyl-13-ethyl-3,7,12,17,20-pentamethyl-2,3,22,23-tetrahydroporphyrin-2-yl]propylsulfanyl]-6-(hydroxymethyl)oxan-4-ol
CID 174261180
N-(3-chloropropyl)-3-[(2S,3S)-8-ethenyl-13-ethyl-3,7,12,17,20-pentamethyl-2,3,22,23-tetrahydroporphyrin-2-yl]-N-methylpropanamide
CID 174010055

Frequently Asked Questions

What is the IUPAC name of 13-ethyl-8-(methoxymethyl)-7,12,17,20-tetramethyl-2-propyl-2,3,22,23-tetrahydroporphyrin?
The IUPAC name of 13-ethyl-8-(methoxymethyl)-7,12,17,20-tetramethyl-2-propyl-2,3,22,23-tetrahydroporphyrin (CID 168897356) is 13-ethyl-8-(methoxymethyl)-7,12,17,20-tetramethyl-2-propyl-2,3,22,23-tetrahydroporphyrin.
What is the SMILES notation for 13-ethyl-8-(methoxymethyl)-7,12,17,20-tetramethyl-2-propyl-2,3,22,23-tetrahydroporphyrin?
The canonical SMILES for 13-ethyl-8-(methoxymethyl)-7,12,17,20-tetramethyl-2-propyl-2,3,22,23-tetrahydroporphyrin is CCCC1Cc2cc3[nH]c(cc4[nH]c(cc5nc(c(C)c1n2)C=C5C)c(CC)c4C)c(COC)c3C.
What is the InChIKey of 13-ethyl-8-(methoxymethyl)-7,12,17,20-tetramethyl-2-propyl-2,3,22,23-tetrahydroporphyrin?
The InChIKey is REPAHBGZIAPRAR-KKKLJTOQSA-N. The full InChI is InChI=1S/C31H38N4O/c1-8-10-21-12-22-13-27-19(5)24(16-36-7)30(34-27)15-28-18(4)23(9-2)29(35-28)14-25-17(3)11-26(33-25)20(6)31(21)32-22/h11,13-15,21,34-35H,8-10,12,16H2,1-7H3/b22-13-,25-14-,26-20-,27-13-,28-15-,29-14-,30-15-,31-20-.
What are the key properties of 13-ethyl-8-(methoxymethyl)-7,12,17,20-tetramethyl-2-propyl-2,3,22,23-tetrahydroporphyrin?
13-ethyl-8-(methoxymethyl)-7,12,17,20-tetramethyl-2-propyl-2,3,22,23-tetrahydroporphyrin has a molecular weight of 482.67 g/mol, XLogP of 7.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 13-ethyl-8-(methoxymethyl)-7,12,17,20-tetramethyl-2-propyl-2,3,22,23-tetrahydroporphyrin is sourced from PubChem (CID 168897356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).