N-[2-(dimethylamino)ethyl]-3-hydroxynaphthalene-2-carboxamide

C15H18N2O2 — CID 3659429

IUPACN-[2-(dimethylamino)ethyl]-3-hydroxynaphthalene-2-carboxamide
SMILESCN(C)CCNC(=O)c1cc2ccccc2cc1O
InChIInChI=1S/C15H18N2O2/c1-17(2)8-7-16-15(19)13-9-11-5-3-4-6-12(11)10-14(13)18/h3-6,9-10,18H,7-8H2,1-2H3,(H,16,19)
InChIKeyPTYBNDTVHWXPPT-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.84
Rot. Bonds4

About N-[2-(dimethylamino)ethyl]-3-hydroxynaphthalene-2-carboxamide

N-[2-(dimethylamino)ethyl]-3-hydroxynaphthalene-2-carboxamide (PubChem CID 3659429) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-hydroxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3-hydroxynaphthalene-2-carboxamide
PubChem CID3659429
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC NameN-[2-(dimethylamino)ethyl]-3-hydroxynaphthalene-2-carboxamide
SMILESCN(C)CCNC(=O)c1cc2ccccc2cc1O
InChIInChI=1S/C15H18N2O2/c1-17(2)8-7-16-15(19)13-9-11-5-3-4-6-12(11)10-14(13)18/h3-6,9-10,18H,7-8H2,1-2H3,(H,16,19)
InChIKeyPTYBNDTVHWXPPT-UHFFFAOYSA-N
XLogP1.84
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3-hydroxynaphthalene-2-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3-hydroxynaphthalene-2-carboxamide (CID 3659429) is N-[2-(dimethylamino)ethyl]-3-hydroxynaphthalene-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3-hydroxynaphthalene-2-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-hydroxynaphthalene-2-carboxamide is CN(C)CCNC(=O)c1cc2ccccc2cc1O.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3-hydroxynaphthalene-2-carboxamide?
The InChIKey is PTYBNDTVHWXPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-17(2)8-7-16-15(19)13-9-11-5-3-4-6-12(11)10-14(13)18/h3-6,9-10,18H,7-8H2,1-2H3,(H,16,19).
What are the key properties of N-[2-(dimethylamino)ethyl]-3-hydroxynaphthalene-2-carboxamide?
N-[2-(dimethylamino)ethyl]-3-hydroxynaphthalene-2-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-3-hydroxynaphthalene-2-carboxamide is sourced from PubChem (CID 3659429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).