N-[(2S)-1-dibenzofuran-2-ylpropan-2-yl]-4-(dimethylamino)benzamide

C24H24N2O2 — CID 26414449

IUPACN-[(2S)-1-dibenzofuran-2-ylpropan-2-yl]-4-(dimethylamino)benzamide
SMILESC[C@@H](Cc1ccc2oc3ccccc3c2c1)NC(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C24H24N2O2/c1-16(25-24(27)18-9-11-19(12-10-18)26(2)3)14-17-8-13-23-21(15-17)20-6-4-5-7-22(20)28-23/h4-13,15-16H,14H2,1-3H3,(H,25,27)/t16-/m0/s1
InChIKeyDVFQPLOCCCKYQP-INIZCTEOSA-N
MW372.47 g/mol
LogP5.01
Rot. Bonds5

About N-[(2S)-1-dibenzofuran-2-ylpropan-2-yl]-4-(dimethylamino)benzamide

N-[(2S)-1-dibenzofuran-2-ylpropan-2-yl]-4-(dimethylamino)benzamide (PubChem CID 26414449) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-[(2S)-1-dibenzofuran-2-ylpropan-2-yl]-4-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-[(2S)-1-dibenzofuran-2-ylpropan-2-yl]-4-(dimethylamino)benzamide
PubChem CID26414449
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC NameN-[(2S)-1-dibenzofuran-2-ylpropan-2-yl]-4-(dimethylamino)benzamide
SMILESC[C@@H](Cc1ccc2oc3ccccc3c2c1)NC(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C24H24N2O2/c1-16(25-24(27)18-9-11-19(12-10-18)26(2)3)14-17-8-13-23-21(15-17)20-6-4-5-7-22(20)28-23/h4-13,15-16H,14H2,1-3H3,(H,25,27)/t16-/m0/s1
InChIKeyDVFQPLOCCCKYQP-INIZCTEOSA-N
XLogP5.01
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.47
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-dibenzofuran-2-ylpropan-2-yl]-4-(dimethylamino)benzamide?
The IUPAC name of N-[(2S)-1-dibenzofuran-2-ylpropan-2-yl]-4-(dimethylamino)benzamide (CID 26414449) is N-[(2S)-1-dibenzofuran-2-ylpropan-2-yl]-4-(dimethylamino)benzamide.
What is the SMILES notation for N-[(2S)-1-dibenzofuran-2-ylpropan-2-yl]-4-(dimethylamino)benzamide?
The canonical SMILES for N-[(2S)-1-dibenzofuran-2-ylpropan-2-yl]-4-(dimethylamino)benzamide is C[C@@H](Cc1ccc2oc3ccccc3c2c1)NC(=O)c1ccc(N(C)C)cc1.
What is the InChIKey of N-[(2S)-1-dibenzofuran-2-ylpropan-2-yl]-4-(dimethylamino)benzamide?
The InChIKey is DVFQPLOCCCKYQP-INIZCTEOSA-N. The full InChI is InChI=1S/C24H24N2O2/c1-16(25-24(27)18-9-11-19(12-10-18)26(2)3)14-17-8-13-23-21(15-17)20-6-4-5-7-22(20)28-23/h4-13,15-16H,14H2,1-3H3,(H,25,27)/t16-/m0/s1.
What are the key properties of N-[(2S)-1-dibenzofuran-2-ylpropan-2-yl]-4-(dimethylamino)benzamide?
N-[(2S)-1-dibenzofuran-2-ylpropan-2-yl]-4-(dimethylamino)benzamide has a molecular weight of 372.47 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-dibenzofuran-2-ylpropan-2-yl]-4-(dimethylamino)benzamide is sourced from PubChem (CID 26414449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).