3-(benzotriazol-2-yl)-N-[2-(dimethylamino)ethyl]-3-(4-hydroxy-3-methylphenyl)propanamide

C20H25N5O2 — CID 139809640

IUPAC3-(benzotriazol-2-yl)-N-[2-(dimethylamino)ethyl]-3-(4-hydroxy-3-methylphenyl)propanamide
SMILESCc1cc(C(CC(=O)NCCN(C)C)n2nc3ccccc3n2)ccc1O
InChIInChI=1S/C20H25N5O2/c1-14-12-15(8-9-19(14)26)18(13-20(27)21-10-11-24(2)3)25-22-16-6-4-5-7-17(16)23-25/h4-9,12,18,26H,10-11,13H2,1-3H3,(H,21,27)
InChIKeyAHDQYICXSCVRPC-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.10
Rot. Bonds7

About 3-(benzotriazol-2-yl)-N-[2-(dimethylamino)ethyl]-3-(4-hydroxy-3-methylphenyl)propanamide

3-(benzotriazol-2-yl)-N-[2-(dimethylamino)ethyl]-3-(4-hydroxy-3-methylphenyl)propanamide (PubChem CID 139809640) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 3-(benzotriazol-2-yl)-N-[2-(dimethylamino)ethyl]-3-(4-hydroxy-3-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(benzotriazol-2-yl)-N-[2-(dimethylamino)ethyl]-3-(4-hydroxy-3-methylphenyl)propanamide
PubChem CID139809640
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name3-(benzotriazol-2-yl)-N-[2-(dimethylamino)ethyl]-3-(4-hydroxy-3-methylphenyl)propanamide
SMILESCc1cc(C(CC(=O)NCCN(C)C)n2nc3ccccc3n2)ccc1O
InChIInChI=1S/C20H25N5O2/c1-14-12-15(8-9-19(14)26)18(13-20(27)21-10-11-24(2)3)25-22-16-6-4-5-7-17(16)23-25/h4-9,12,18,26H,10-11,13H2,1-3H3,(H,21,27)
InChIKeyAHDQYICXSCVRPC-UHFFFAOYSA-N
XLogP2.10
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(benzotriazol-2-yl)-N-[2-(dimethylamino)ethyl]-3-(4-hydroxy-3-methylphenyl)propanamide?
The IUPAC name of 3-(benzotriazol-2-yl)-N-[2-(dimethylamino)ethyl]-3-(4-hydroxy-3-methylphenyl)propanamide (CID 139809640) is 3-(benzotriazol-2-yl)-N-[2-(dimethylamino)ethyl]-3-(4-hydroxy-3-methylphenyl)propanamide.
What is the SMILES notation for 3-(benzotriazol-2-yl)-N-[2-(dimethylamino)ethyl]-3-(4-hydroxy-3-methylphenyl)propanamide?
The canonical SMILES for 3-(benzotriazol-2-yl)-N-[2-(dimethylamino)ethyl]-3-(4-hydroxy-3-methylphenyl)propanamide is Cc1cc(C(CC(=O)NCCN(C)C)n2nc3ccccc3n2)ccc1O.
What is the InChIKey of 3-(benzotriazol-2-yl)-N-[2-(dimethylamino)ethyl]-3-(4-hydroxy-3-methylphenyl)propanamide?
The InChIKey is AHDQYICXSCVRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-14-12-15(8-9-19(14)26)18(13-20(27)21-10-11-24(2)3)25-22-16-6-4-5-7-17(16)23-25/h4-9,12,18,26H,10-11,13H2,1-3H3,(H,21,27).
What are the key properties of 3-(benzotriazol-2-yl)-N-[2-(dimethylamino)ethyl]-3-(4-hydroxy-3-methylphenyl)propanamide?
3-(benzotriazol-2-yl)-N-[2-(dimethylamino)ethyl]-3-(4-hydroxy-3-methylphenyl)propanamide has a molecular weight of 367.45 g/mol, XLogP of 2.10, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzotriazol-2-yl)-N-[2-(dimethylamino)ethyl]-3-(4-hydroxy-3-methylphenyl)propanamide is sourced from PubChem (CID 139809640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).