(2S)-N-dibenzofuran-3-yl-2-[(2,2-diphenylacetyl)amino]propanamide

C29H24N2O3 — CID 126008008

IUPAC(2S)-N-dibenzofuran-3-yl-2-[(2,2-diphenylacetyl)amino]propanamide
SMILESC[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)Nc1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C29H24N2O3/c1-19(30-29(33)27(20-10-4-2-5-11-20)21-12-6-3-7-13-21)28(32)31-22-16-17-24-23-14-8-9-15-25(23)34-26(24)18-22/h2-19,27H,1H3,(H,30,33)(H,31,32)/t19-/m0/s1
InChIKeyIDIDBGHVASVROM-IBGZPJMESA-N
MW448.52 g/mol
LogP5.86
Rot. Bonds6

About (2S)-N-dibenzofuran-3-yl-2-[(2,2-diphenylacetyl)amino]propanamide

(2S)-N-dibenzofuran-3-yl-2-[(2,2-diphenylacetyl)amino]propanamide (PubChem CID 126008008) has the molecular formula C29H24N2O3 and a molecular weight of 448.52 g/mol. Its IUPAC name is (2S)-N-dibenzofuran-3-yl-2-[(2,2-diphenylacetyl)amino]propanamide.

Molecular Properties

Compound Name(2S)-N-dibenzofuran-3-yl-2-[(2,2-diphenylacetyl)amino]propanamide
PubChem CID126008008
Molecular FormulaC29H24N2O3
Molecular Weight448.52 g/mol
Exact Mass448.18
IUPAC Name(2S)-N-dibenzofuran-3-yl-2-[(2,2-diphenylacetyl)amino]propanamide
SMILESC[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)Nc1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C29H24N2O3/c1-19(30-29(33)27(20-10-4-2-5-11-20)21-12-6-3-7-13-21)28(32)31-22-16-17-24-23-14-8-9-15-25(23)34-26(24)18-22/h2-19,27H,1H3,(H,30,33)(H,31,32)/t19-/m0/s1
InChIKeyIDIDBGHVASVROM-IBGZPJMESA-N
XLogP5.86
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.52
LogP ≤ 55.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-(dibenzofuran-2-ylamino)-1-oxopropan-2-yl]benzamide
CID 8002470
N-dibenzofuran-3-yl-2-phenoxypropanamide
CID 133234579
N-dibenzofuran-3-yl-2-(3,4-dimethylphenoxy)propanamide
CID 133211026
N-(dibenzofuran-3-ylcarbamothioyl)-2-methylpropanamide
CID 17099643
(2R)-2-amino-N-dibenzofuran-2-ylpropanamide
CID 54996249
1-dibenzofuran-3-yl-3-(1-hydroxy-4-methylpentan-2-yl)urea
CID 86967249
N-dibenzofuran-3-yl-2-(2-methylphenoxy)propanamide
CID 133239743
N-dibenzofuran-3-yl-3,4-dimethylbenzamide
CID 3259661
N-dibenzofuran-3-yl-2,2-dimethylpropanamide
CID 15495610
N-dibenzofuran-3-yl-2-(3-methoxyphenoxy)propanamide
CID 133239850
N-dibenzofuran-3-yl-4-phenylbenzamide
CID 3125062
1-dibenzofuran-3-yl-3-[3-(dibenzofuran-3-ylcarbamoylamino)phenyl]urea
CID 4639027

Frequently Asked Questions

What is the IUPAC name of (2S)-N-dibenzofuran-3-yl-2-[(2,2-diphenylacetyl)amino]propanamide?
The IUPAC name of (2S)-N-dibenzofuran-3-yl-2-[(2,2-diphenylacetyl)amino]propanamide (CID 126008008) is (2S)-N-dibenzofuran-3-yl-2-[(2,2-diphenylacetyl)amino]propanamide.
What is the SMILES notation for (2S)-N-dibenzofuran-3-yl-2-[(2,2-diphenylacetyl)amino]propanamide?
The canonical SMILES for (2S)-N-dibenzofuran-3-yl-2-[(2,2-diphenylacetyl)amino]propanamide is C[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)Nc1ccc2c(c1)oc1ccccc12.
What is the InChIKey of (2S)-N-dibenzofuran-3-yl-2-[(2,2-diphenylacetyl)amino]propanamide?
The InChIKey is IDIDBGHVASVROM-IBGZPJMESA-N. The full InChI is InChI=1S/C29H24N2O3/c1-19(30-29(33)27(20-10-4-2-5-11-20)21-12-6-3-7-13-21)28(32)31-22-16-17-24-23-14-8-9-15-25(23)34-26(24)18-22/h2-19,27H,1H3,(H,30,33)(H,31,32)/t19-/m0/s1.
What are the key properties of (2S)-N-dibenzofuran-3-yl-2-[(2,2-diphenylacetyl)amino]propanamide?
(2S)-N-dibenzofuran-3-yl-2-[(2,2-diphenylacetyl)amino]propanamide has a molecular weight of 448.52 g/mol, XLogP of 5.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-dibenzofuran-3-yl-2-[(2,2-diphenylacetyl)amino]propanamide is sourced from PubChem (CID 126008008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).