N-(2-hydroxyethyl)-3-[18-[3-(2-hydroxyethylamino)-3-oxopropyl]-3,8,13,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanamide

C34H40N6O4 — CID 19756534

IUPACN-(2-hydroxyethyl)-3-[18-[3-(2-hydroxyethylamino)-3-oxopropyl]-3,8,13,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanamide
SMILESCC1=C(CCC(=O)NCCO)c2cc3nc(cc4[nH]c(cc4C)cc4[nH]c(cc1n2)cc4C)C(C)=C3CCC(=O)NCCO
InChIInChI=1S/C34H40N6O4/c1-19-13-24-16-29-21(3)25(5-7-33(43)35-9-11-41)31(39-29)18-32-26(6-8-34(44)36-10-12-42)22(4)30(40-32)17-28-20(2)14-23(38-28)15-27(19)37-24/h13-18,37-38,41-42H,5-12H2,1-4H3,(H,35,43)(H,36,44)/b23-15-,24-16-,27-15-,28-17-,29-16-,30-17-,31-18-,32-18-
InChIKeyFZPRVMJHFNQIQG-IKPJNFDGSA-N
MW596.73 g/mol
LogP4.57
Rot. Bonds10

About N-(2-hydroxyethyl)-3-[18-[3-(2-hydroxyethylamino)-3-oxopropyl]-3,8,13,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanamide

N-(2-hydroxyethyl)-3-[18-[3-(2-hydroxyethylamino)-3-oxopropyl]-3,8,13,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanamide (PubChem CID 19756534) has the molecular formula C34H40N6O4 and a molecular weight of 596.73 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-[18-[3-(2-hydroxyethylamino)-3-oxopropyl]-3,8,13,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3-[18-[3-(2-hydroxyethylamino)-3-oxopropyl]-3,8,13,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanamide
PubChem CID19756534
Molecular FormulaC34H40N6O4
Molecular Weight596.73 g/mol
Exact Mass596.31
IUPAC NameN-(2-hydroxyethyl)-3-[18-[3-(2-hydroxyethylamino)-3-oxopropyl]-3,8,13,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanamide
SMILESCC1=C(CCC(=O)NCCO)c2cc3nc(cc4[nH]c(cc4C)cc4[nH]c(cc1n2)cc4C)C(C)=C3CCC(=O)NCCO
InChIInChI=1S/C34H40N6O4/c1-19-13-24-16-29-21(3)25(5-7-33(43)35-9-11-41)31(39-29)18-32-26(6-8-34(44)36-10-12-42)22(4)30(40-32)17-28-20(2)14-23(38-28)15-27(19)37-24/h13-18,37-38,41-42H,5-12H2,1-4H3,(H,35,43)(H,36,44)/b23-15-,24-16-,27-15-,28-17-,29-16-,30-17-,31-18-,32-18-
InChIKeyFZPRVMJHFNQIQG-IKPJNFDGSA-N
XLogP4.57
TPSA156.02 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.73
LogP ≤ 54.57
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3-[18-[3-(2-hydroxyethylamino)-3-oxopropyl]-3,8,13,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanamide?
The IUPAC name of N-(2-hydroxyethyl)-3-[18-[3-(2-hydroxyethylamino)-3-oxopropyl]-3,8,13,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanamide (CID 19756534) is N-(2-hydroxyethyl)-3-[18-[3-(2-hydroxyethylamino)-3-oxopropyl]-3,8,13,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3-[18-[3-(2-hydroxyethylamino)-3-oxopropyl]-3,8,13,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanamide?
The canonical SMILES for N-(2-hydroxyethyl)-3-[18-[3-(2-hydroxyethylamino)-3-oxopropyl]-3,8,13,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanamide is CC1=C(CCC(=O)NCCO)c2cc3nc(cc4[nH]c(cc4C)cc4[nH]c(cc1n2)cc4C)C(C)=C3CCC(=O)NCCO.
What is the InChIKey of N-(2-hydroxyethyl)-3-[18-[3-(2-hydroxyethylamino)-3-oxopropyl]-3,8,13,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanamide?
The InChIKey is FZPRVMJHFNQIQG-IKPJNFDGSA-N. The full InChI is InChI=1S/C34H40N6O4/c1-19-13-24-16-29-21(3)25(5-7-33(43)35-9-11-41)31(39-29)18-32-26(6-8-34(44)36-10-12-42)22(4)30(40-32)17-28-20(2)14-23(38-28)15-27(19)37-24/h13-18,37-38,41-42H,5-12H2,1-4H3,(H,35,43)(H,36,44)/b23-15-,24-16-,27-15-,28-17-,29-16-,30-17-,31-18-,32-18-.
What are the key properties of N-(2-hydroxyethyl)-3-[18-[3-(2-hydroxyethylamino)-3-oxopropyl]-3,8,13,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanamide?
N-(2-hydroxyethyl)-3-[18-[3-(2-hydroxyethylamino)-3-oxopropyl]-3,8,13,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanamide has a molecular weight of 596.73 g/mol, XLogP of 4.57, 10 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3-[18-[3-(2-hydroxyethylamino)-3-oxopropyl]-3,8,13,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanamide is sourced from PubChem (CID 19756534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).