4-[[2H-chromen-3-ylmethyl(ethyl)amino]methyl]-N,N-dimethylbenzamide

C22H26N2O2 — CID 122158224

IUPAC4-[[2H-chromen-3-ylmethyl(ethyl)amino]methyl]-N,N-dimethylbenzamide
SMILESCCN(CC1=Cc2ccccc2OC1)Cc1ccc(C(=O)N(C)C)cc1
InChIInChI=1S/C22H26N2O2/c1-4-24(14-17-9-11-19(12-10-17)22(25)23(2)3)15-18-13-20-7-5-6-8-21(20)26-16-18/h5-13H,4,14-16H2,1-3H3
InChIKeyNULZKFYGYWVQLA-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.69
Rot. Bonds6

About 4-[[2H-chromen-3-ylmethyl(ethyl)amino]methyl]-N,N-dimethylbenzamide

4-[[2H-chromen-3-ylmethyl(ethyl)amino]methyl]-N,N-dimethylbenzamide (PubChem CID 122158224) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 4-[[2H-chromen-3-ylmethyl(ethyl)amino]methyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[[2H-chromen-3-ylmethyl(ethyl)amino]methyl]-N,N-dimethylbenzamide
PubChem CID122158224
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name4-[[2H-chromen-3-ylmethyl(ethyl)amino]methyl]-N,N-dimethylbenzamide
SMILESCCN(CC1=Cc2ccccc2OC1)Cc1ccc(C(=O)N(C)C)cc1
InChIInChI=1S/C22H26N2O2/c1-4-24(14-17-9-11-19(12-10-17)22(25)23(2)3)15-18-13-20-7-5-6-8-21(20)26-16-18/h5-13H,4,14-16H2,1-3H3
InChIKeyNULZKFYGYWVQLA-UHFFFAOYSA-N
XLogP3.69
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[2H-chromen-3-ylmethyl(ethyl)amino]methyl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[[2H-chromen-3-ylmethyl(ethyl)amino]methyl]-N,N-dimethylbenzamide (CID 122158224) is 4-[[2H-chromen-3-ylmethyl(ethyl)amino]methyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[[2H-chromen-3-ylmethyl(ethyl)amino]methyl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[[2H-chromen-3-ylmethyl(ethyl)amino]methyl]-N,N-dimethylbenzamide is CCN(CC1=Cc2ccccc2OC1)Cc1ccc(C(=O)N(C)C)cc1.
What is the InChIKey of 4-[[2H-chromen-3-ylmethyl(ethyl)amino]methyl]-N,N-dimethylbenzamide?
The InChIKey is NULZKFYGYWVQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-4-24(14-17-9-11-19(12-10-17)22(25)23(2)3)15-18-13-20-7-5-6-8-21(20)26-16-18/h5-13H,4,14-16H2,1-3H3.
What are the key properties of 4-[[2H-chromen-3-ylmethyl(ethyl)amino]methyl]-N,N-dimethylbenzamide?
4-[[2H-chromen-3-ylmethyl(ethyl)amino]methyl]-N,N-dimethylbenzamide has a molecular weight of 350.46 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2H-chromen-3-ylmethyl(ethyl)amino]methyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 122158224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).