2-[4-(1-adamantylcarbamoylamino)phenyl]acetic acid

C19H24N2O3 — CID 44582486

IUPAC2-[4-(1-adamantylcarbamoylamino)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C19H24N2O3/c22-17(23)8-12-1-3-16(4-2-12)20-18(24)21-19-9-13-5-14(10-19)7-15(6-13)11-19/h1-4,13-15H,5-11H2,(H,22,23)(H2,20,21,24)
InChIKeyQDEKKGRIPYLLDK-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.40
Rot. Bonds4

About 2-[4-(1-adamantylcarbamoylamino)phenyl]acetic acid

2-[4-(1-adamantylcarbamoylamino)phenyl]acetic acid (PubChem CID 44582486) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 2-[4-(1-adamantylcarbamoylamino)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(1-adamantylcarbamoylamino)phenyl]acetic acid
PubChem CID44582486
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name2-[4-(1-adamantylcarbamoylamino)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C19H24N2O3/c22-17(23)8-12-1-3-16(4-2-12)20-18(24)21-19-9-13-5-14(10-19)7-15(6-13)11-19/h1-4,13-15H,5-11H2,(H,22,23)(H2,20,21,24)
InChIKeyQDEKKGRIPYLLDK-UHFFFAOYSA-N
XLogP3.40
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-adamantylcarbamoylamino)phenyl]acetic acid?
The IUPAC name of 2-[4-(1-adamantylcarbamoylamino)phenyl]acetic acid (CID 44582486) is 2-[4-(1-adamantylcarbamoylamino)phenyl]acetic acid.
What is the SMILES notation for 2-[4-(1-adamantylcarbamoylamino)phenyl]acetic acid?
The canonical SMILES for 2-[4-(1-adamantylcarbamoylamino)phenyl]acetic acid is O=C(O)Cc1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of 2-[4-(1-adamantylcarbamoylamino)phenyl]acetic acid?
The InChIKey is QDEKKGRIPYLLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c22-17(23)8-12-1-3-16(4-2-12)20-18(24)21-19-9-13-5-14(10-19)7-15(6-13)11-19/h1-4,13-15H,5-11H2,(H,22,23)(H2,20,21,24).
What are the key properties of 2-[4-(1-adamantylcarbamoylamino)phenyl]acetic acid?
2-[4-(1-adamantylcarbamoylamino)phenyl]acetic acid has a molecular weight of 328.41 g/mol, XLogP of 3.40, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-adamantylcarbamoylamino)phenyl]acetic acid is sourced from PubChem (CID 44582486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).