3-(dimethylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide

C19H22N2O — CID 4877802

IUPAC3-(dimethylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
SMILESCN(C)c1cccc(C(=O)NC2CCCc3ccccc32)c1
InChIInChI=1S/C19H22N2O/c1-21(2)16-10-5-9-15(13-16)19(22)20-18-12-6-8-14-7-3-4-11-17(14)18/h3-5,7,9-11,13,18H,6,8,12H2,1-2H3,(H,20,22)
InChIKeyAYDWZDJSUNISDD-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.56
Rot. Bonds3

About 3-(dimethylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide

3-(dimethylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide (PubChem CID 4877802) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 3-(dimethylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
PubChem CID4877802
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name3-(dimethylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
SMILESCN(C)c1cccc(C(=O)NC2CCCc3ccccc32)c1
InChIInChI=1S/C19H22N2O/c1-21(2)16-10-5-9-15(13-16)19(22)20-18-12-6-8-14-7-3-4-11-17(14)18/h3-5,7,9-11,13,18H,6,8,12H2,1-2H3,(H,20,22)
InChIKeyAYDWZDJSUNISDD-UHFFFAOYSA-N
XLogP3.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide?
The IUPAC name of 3-(dimethylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide (CID 4877802) is 3-(dimethylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide?
The canonical SMILES for 3-(dimethylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide is CN(C)c1cccc(C(=O)NC2CCCc3ccccc32)c1.
What is the InChIKey of 3-(dimethylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide?
The InChIKey is AYDWZDJSUNISDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-21(2)16-10-5-9-15(13-16)19(22)20-18-12-6-8-14-7-3-4-11-17(14)18/h3-5,7,9-11,13,18H,6,8,12H2,1-2H3,(H,20,22).
What are the key properties of 3-(dimethylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide?
3-(dimethylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide has a molecular weight of 294.40 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide is sourced from PubChem (CID 4877802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).