N-[[5-(22,24-dihydroporphyrin-2-yl)-2-methoxyphenyl]methyl]-N-propylpropan-1-amine

C34H35N5O — CID 174614460

IUPACN-[[5-(22,24-dihydroporphyrin-2-yl)-2-methoxyphenyl]methyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)Cc1cc(C2=Cc3cc4ccc(cc5nc(cc6ccc(cc2n3)[nH]6)C=C5)[nH]4)ccc1OC
InChIInChI=1S/C34H35N5O/c1-4-14-39(15-5-2)22-24-16-23(6-13-34(24)40-3)32-20-31-19-29-10-9-27(36-29)17-25-7-8-26(35-25)18-28-11-12-30(37-28)21-33(32)38-31/h6-13,16-21,36-37H,4-5,14-15,22H2,1-3H3/b25-17-,26-18-,27-17-,28-18-,29-19-,30-21-,31-19-,33-21-
InChIKeyYFWKERXAAWWVLN-BNTNMXNASA-N
MW529.69 g/mol
LogP7.70
Rot. Bonds8

About N-[[5-(22,24-dihydroporphyrin-2-yl)-2-methoxyphenyl]methyl]-N-propylpropan-1-amine

N-[[5-(22,24-dihydroporphyrin-2-yl)-2-methoxyphenyl]methyl]-N-propylpropan-1-amine (PubChem CID 174614460) has the molecular formula C34H35N5O and a molecular weight of 529.69 g/mol. Its IUPAC name is N-[[5-(22,24-dihydroporphyrin-2-yl)-2-methoxyphenyl]methyl]-N-propylpropan-1-amine.

Molecular Properties

Compound NameN-[[5-(22,24-dihydroporphyrin-2-yl)-2-methoxyphenyl]methyl]-N-propylpropan-1-amine
PubChem CID174614460
Molecular FormulaC34H35N5O
Molecular Weight529.69 g/mol
Exact Mass529.28
IUPAC NameN-[[5-(22,24-dihydroporphyrin-2-yl)-2-methoxyphenyl]methyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)Cc1cc(C2=Cc3cc4ccc(cc5nc(cc6ccc(cc2n3)[nH]6)C=C5)[nH]4)ccc1OC
InChIInChI=1S/C34H35N5O/c1-4-14-39(15-5-2)22-24-16-23(6-13-34(24)40-3)32-20-31-19-29-10-9-27(36-29)17-25-7-8-26(35-25)18-28-11-12-30(37-28)21-33(32)38-31/h6-13,16-21,36-37H,4-5,14-15,22H2,1-3H3/b25-17-,26-18-,27-17-,28-18-,29-19-,30-21-,31-19-,33-21-
InChIKeyYFWKERXAAWWVLN-BNTNMXNASA-N
XLogP7.70
TPSA69.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.69
LogP ≤ 57.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(22,24-dihydroporphyrin-2-yl)-2-methoxyphenyl]methyl]-N-propylpropan-1-amine?
The IUPAC name of N-[[5-(22,24-dihydroporphyrin-2-yl)-2-methoxyphenyl]methyl]-N-propylpropan-1-amine (CID 174614460) is N-[[5-(22,24-dihydroporphyrin-2-yl)-2-methoxyphenyl]methyl]-N-propylpropan-1-amine.
What is the SMILES notation for N-[[5-(22,24-dihydroporphyrin-2-yl)-2-methoxyphenyl]methyl]-N-propylpropan-1-amine?
The canonical SMILES for N-[[5-(22,24-dihydroporphyrin-2-yl)-2-methoxyphenyl]methyl]-N-propylpropan-1-amine is CCCN(CCC)Cc1cc(C2=Cc3cc4ccc(cc5nc(cc6ccc(cc2n3)[nH]6)C=C5)[nH]4)ccc1OC.
What is the InChIKey of N-[[5-(22,24-dihydroporphyrin-2-yl)-2-methoxyphenyl]methyl]-N-propylpropan-1-amine?
The InChIKey is YFWKERXAAWWVLN-BNTNMXNASA-N. The full InChI is InChI=1S/C34H35N5O/c1-4-14-39(15-5-2)22-24-16-23(6-13-34(24)40-3)32-20-31-19-29-10-9-27(36-29)17-25-7-8-26(35-25)18-28-11-12-30(37-28)21-33(32)38-31/h6-13,16-21,36-37H,4-5,14-15,22H2,1-3H3/b25-17-,26-18-,27-17-,28-18-,29-19-,30-21-,31-19-,33-21-.
What are the key properties of N-[[5-(22,24-dihydroporphyrin-2-yl)-2-methoxyphenyl]methyl]-N-propylpropan-1-amine?
N-[[5-(22,24-dihydroporphyrin-2-yl)-2-methoxyphenyl]methyl]-N-propylpropan-1-amine has a molecular weight of 529.69 g/mol, XLogP of 7.70, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(22,24-dihydroporphyrin-2-yl)-2-methoxyphenyl]methyl]-N-propylpropan-1-amine is sourced from PubChem (CID 174614460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).