2-amino-2-[4-[(4-methoxyphenyl)carbamoylamino]-6-naphthalen-2-yloxy-1,3,5-triazin-2-yl]acetic acid

C23H20N6O5 — CID 91086227

IUPAC2-amino-2-[4-[(4-methoxyphenyl)carbamoylamino]-6-naphthalen-2-yloxy-1,3,5-triazin-2-yl]acetic acid
SMILESCOc1ccc(NC(=O)Nc2nc(Oc3ccc4ccccc4c3)nc(C(N)C(=O)O)n2)cc1
InChIInChI=1S/C23H20N6O5/c1-33-16-10-7-15(8-11-16)25-22(32)28-21-26-19(18(24)20(30)31)27-23(29-21)34-17-9-6-13-4-2-3-5-14(13)12-17/h2-12,18H,24H2,1H3,(H,30,31)(H2,25,26,27,28,29,32)
InChIKeyNEWUXDJCRXBJNK-UHFFFAOYSA-N
MW460.45 g/mol
LogP3.55
Rot. Bonds7

About 2-amino-2-[4-[(4-methoxyphenyl)carbamoylamino]-6-naphthalen-2-yloxy-1,3,5-triazin-2-yl]acetic acid

2-amino-2-[4-[(4-methoxyphenyl)carbamoylamino]-6-naphthalen-2-yloxy-1,3,5-triazin-2-yl]acetic acid (PubChem CID 91086227) has the molecular formula C23H20N6O5 and a molecular weight of 460.45 g/mol. Its IUPAC name is 2-amino-2-[4-[(4-methoxyphenyl)carbamoylamino]-6-naphthalen-2-yloxy-1,3,5-triazin-2-yl]acetic acid.

Molecular Properties

Compound Name2-amino-2-[4-[(4-methoxyphenyl)carbamoylamino]-6-naphthalen-2-yloxy-1,3,5-triazin-2-yl]acetic acid
PubChem CID91086227
Molecular FormulaC23H20N6O5
Molecular Weight460.45 g/mol
Exact Mass460.15
IUPAC Name2-amino-2-[4-[(4-methoxyphenyl)carbamoylamino]-6-naphthalen-2-yloxy-1,3,5-triazin-2-yl]acetic acid
SMILESCOc1ccc(NC(=O)Nc2nc(Oc3ccc4ccccc4c3)nc(C(N)C(=O)O)n2)cc1
InChIInChI=1S/C23H20N6O5/c1-33-16-10-7-15(8-11-16)25-22(32)28-21-26-19(18(24)20(30)31)27-23(29-21)34-17-9-6-13-4-2-3-5-14(13)12-17/h2-12,18H,24H2,1H3,(H,30,31)(H2,25,26,27,28,29,32)
InChIKeyNEWUXDJCRXBJNK-UHFFFAOYSA-N
XLogP3.55
TPSA161.58 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.45
LogP ≤ 53.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[4-[(4-methoxyphenyl)carbamoylamino]-6-naphthalen-2-yloxy-1,3,5-triazin-2-yl]acetic acid?
The IUPAC name of 2-amino-2-[4-[(4-methoxyphenyl)carbamoylamino]-6-naphthalen-2-yloxy-1,3,5-triazin-2-yl]acetic acid (CID 91086227) is 2-amino-2-[4-[(4-methoxyphenyl)carbamoylamino]-6-naphthalen-2-yloxy-1,3,5-triazin-2-yl]acetic acid.
What is the SMILES notation for 2-amino-2-[4-[(4-methoxyphenyl)carbamoylamino]-6-naphthalen-2-yloxy-1,3,5-triazin-2-yl]acetic acid?
The canonical SMILES for 2-amino-2-[4-[(4-methoxyphenyl)carbamoylamino]-6-naphthalen-2-yloxy-1,3,5-triazin-2-yl]acetic acid is COc1ccc(NC(=O)Nc2nc(Oc3ccc4ccccc4c3)nc(C(N)C(=O)O)n2)cc1.
What is the InChIKey of 2-amino-2-[4-[(4-methoxyphenyl)carbamoylamino]-6-naphthalen-2-yloxy-1,3,5-triazin-2-yl]acetic acid?
The InChIKey is NEWUXDJCRXBJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O5/c1-33-16-10-7-15(8-11-16)25-22(32)28-21-26-19(18(24)20(30)31)27-23(29-21)34-17-9-6-13-4-2-3-5-14(13)12-17/h2-12,18H,24H2,1H3,(H,30,31)(H2,25,26,27,28,29,32).
What are the key properties of 2-amino-2-[4-[(4-methoxyphenyl)carbamoylamino]-6-naphthalen-2-yloxy-1,3,5-triazin-2-yl]acetic acid?
2-amino-2-[4-[(4-methoxyphenyl)carbamoylamino]-6-naphthalen-2-yloxy-1,3,5-triazin-2-yl]acetic acid has a molecular weight of 460.45 g/mol, XLogP of 3.55, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[4-[(4-methoxyphenyl)carbamoylamino]-6-naphthalen-2-yloxy-1,3,5-triazin-2-yl]acetic acid is sourced from PubChem (CID 91086227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).